           70
 Energy:   -458.0029912357068    
     C             4.15025             2.05038             0.22023
     C             2.73743             1.68392             0.41149
     C             1.83898             2.86755             0.33224
     C             2.77456             3.98251             0.05180
     C             4.13464             3.49207            -0.04049
     C             5.79469             0.72513             3.19003
     C             4.89994             0.46953             2.02722
     C             5.18666             1.44572             0.98955
     C             6.23128             2.30563             1.49599
     C             6.59887             1.88471             2.86970
     C             1.64706             0.48399             3.68821
     C             1.25560             0.93159             2.36281
     C             2.43913             0.76282             1.44543
     C             3.49301             0.18725             2.22564
     C             3.02612             0.06527             3.61200
     C            -0.04009             4.26155             3.14466
     C             0.39665             4.44048             1.75449
     C             0.80266             3.09287             1.29228
     C             0.42910             2.09924             2.30138
     C            -0.06425             2.80231             3.49692
     C             3.05691             6.88822             2.21253
     C             3.52754             6.17533             1.02651
     C             2.45461             5.28974             0.57201
     C             1.22578             5.54873             1.37309
     C             1.64397             6.47154             2.48212
     C             6.66412             4.62441             2.23908
     C             6.32069             3.72184             1.16129
     C             5.17911             4.34519             0.44702
     C             4.86631             5.69063             0.94060
     C             5.80027             5.84553             2.09663
     C             4.26943             2.96186             7.03986
     C             2.89421             3.47075             7.10738
     C             2.94181             4.91603             6.76193
     C             4.33198             5.29523             6.45831
     C             5.18770             4.07481             6.66021
     C             3.91895             0.20575             4.74670
     C             3.43645             0.86251             5.94344
     C             4.54103             1.68579             6.47064
     C             5.73084             1.45981             5.58898
     C             5.31091             0.51871             4.49544
     C             0.28386             2.31700             4.84481
     C             0.71088             3.28801             5.90386
     C             1.82059             2.69930             6.63696
     C             2.12080             1.31600             6.03974
     C             1.21891             1.18472             4.85957
     C             1.30831             6.20254             3.83790
     C             2.15532             6.46844             4.95432
     C             1.81671             5.52753             6.08188
     C             0.70512             4.70759             5.57015
     C             0.40289             5.08448             4.22396
     C             5.34012             6.55231             3.24892
     C             5.71094             6.07137             4.57874
     C             4.53181             6.26379             5.46695
     C             3.47554             6.85679             4.68146
     C             3.94219             6.98078             3.29259
     C             6.98846             2.78889             3.84915
     C             6.55770             2.57380             5.21179
     C             6.28335             3.90950             5.78170
     C             6.58355             4.93081             4.71314
     C             7.00807             4.18944             3.52707
     C            12.57683             3.50000             2.82749
     C            12.57683             3.50000             4.21451
     C            13.77946             3.50000             2.08448
     H            13.77723             3.50000             0.99280
     C            14.95003             3.50000             2.82225
     H            15.91190             3.50000             2.29155
     C            14.95003             3.50000             4.21975
     H            15.91190             3.50000             4.75045
     C            13.77946             3.50000             4.95752
     H            13.77723             3.50000             6.04920
           70
 Energy:   -458.1962226737883    
     C             4.13465             2.07850             0.14698
     C             2.72222             1.70893             0.41854
     C             1.86875             2.88610             0.33299
     C             2.69295             4.02901             0.00813
     C             4.11916             3.54001            -0.10532
     C             5.76519             0.73221             3.16430
     C             4.86203             0.50942             2.04267
     C             5.19014             1.49255             0.97566
     C             6.25655             2.36395             1.48769
     C             6.55971             1.89863             2.82154
     C             1.63731             0.51963             3.68137
     C             1.25142             0.97124             2.33514
     C             2.41268             0.78124             1.44446
     C             3.51394             0.19095             2.24261
     C             3.00346             0.01524             3.61448
     C            -0.01638             4.23764             3.20172
     C             0.46420             4.42778             1.79031
     C             0.74018             3.11052             1.21467
     C             0.41130             2.12262             2.23193
     C            -0.05775             2.81600             3.47557
     C             3.04827             6.82186             2.26760
     C             3.51552             6.15551             1.04059
     C             2.41297             5.29308             0.58648
     C             1.26361             5.58230             1.45177
     C             1.68014             6.48325             2.51270
     C             6.56986             4.66346             2.27439
     C             6.25128             3.73738             1.15543
     C             5.17687             4.35836             0.35591
     C             4.91976             5.69331             0.97259
     C             5.79279             5.85129             2.13648
     C             4.26540             2.90136             7.02193
     C             2.89678             3.44469             7.07294
     C             2.92573             4.86610             6.78658
     C             4.32795             5.23481             6.52785
     C             5.12948             4.04780             6.64910
     C             3.88951             0.16379             4.68679
     C             3.47552             0.88748             5.87953
     C             4.54717             1.65535             6.39321
     C             5.71205             1.51014             5.56769
     C             5.33814             0.53980             4.53230
     C             0.27950             2.29805             4.79200
     C             0.69309             3.23851             5.87836
     C             1.80656             2.59172             6.64155
     C             2.11877             1.36821             6.00524
     C             1.20535             1.13165             4.89130
     C             1.31718             6.17530             3.86776
     C             2.19698             6.47184             5.01112
     C             1.89657             5.51538             6.03489
     C             0.71646             4.66486             5.64492
     C             0.46058             5.10454             4.20741
     C             5.37208             6.54328             3.29249
     C             5.69944             6.03272             4.60990
     C             4.60593             6.22727             5.49447
     C             3.53736             6.81807             4.69796
     C             3.98948             6.98847             3.34396
     C             7.00651             2.78613             3.83963
     C             6.57332             2.62580             5.23350
     C             6.29914             3.94346             5.78886
     C             6.54563             4.93209             4.75893
     C             7.00955             4.21934             3.56845
     C            11.05121             3.50000             2.83121
     C            11.05121             3.50000             4.21079
     C            12.27969             3.50000             2.12215
     H            12.34514             3.50000             1.03574
     C            13.46927             3.50000             2.83886
     H            14.41789             3.50000             2.30273
     C            13.46927             3.50000             4.20314
     H            14.41789             3.50000             4.73927
     C            12.27969             3.50000             4.91985
     H            12.34514             3.50000             6.00626
           70
 Energy:   -458.2406741588474    
     C             4.08936             2.12465             0.12773
     C             2.69972             1.71897             0.44009
     C             1.86084             2.93150             0.34467
     C             2.69657             4.07421            -0.03849
     C             4.06041             3.59898            -0.17864
     C             5.73913             0.75877             3.13298
     C             4.82507             0.56842             1.98639
     C             5.14193             1.55282             0.93109
     C             6.24472             2.37824             1.44943
     C             6.61762             1.90776             2.80810
     C             1.63473             0.52041             3.67755
     C             1.26076             1.00761             2.34181
     C             2.39621             0.75582             1.46923
     C             3.46633             0.16981             2.26481
     C             3.00051            -0.05121             3.59964
     C             0.04244             4.20984             3.20959
     C             0.48524             4.42935             1.86304
     C             0.68927             3.13668             1.13724
     C             0.39455             2.11526             2.20533
     C            -0.03518             2.76277             3.43043
     C             3.14530             6.80421             2.30299
     C             3.56405             6.10179             1.08429
     C             2.39828             5.36154             0.56187
     C             1.29645             5.51536             1.52853
     C             1.71986             6.45502             2.56946
     C             6.56017             4.67655             2.27604
     C             6.18405             3.78303             1.22404
     C             5.20161             4.40494             0.30830
     C             4.88077             5.68503             0.97984
     C             5.76529             5.88272             2.12478
     C             4.28319             2.92857             6.95931
     C             2.87768             3.37138             7.07319
     C             2.93116             4.83200             6.81177
     C             4.28405             5.23510             6.55977
     C             5.13843             4.03660             6.65677
     C             3.94684             0.14767             4.69141
     C             3.42755             0.87690             5.84042
     C             4.56387             1.67362             6.40296
     C             5.71416             1.52444             5.49678
     C             5.32947             0.54098             4.46841
     C             0.33132             2.31142             4.73179
     C             0.66875             3.20164             5.86808
     C             1.77710             2.60492             6.61648
     C             2.12139             1.32353             5.93750
     C             1.14024             1.11455             4.88295
     C             1.31481             6.25276             3.90415
     C             2.21330             6.44413             4.99870
     C             1.90897             5.43781             6.06354
     C             0.79121             4.61788             5.59118
     C             0.43269             5.10851             4.26338
     C             5.36578             6.52949             3.31691
     C             5.77567             6.04648             4.63873
     C             4.63489             6.17019             5.56919
     C             3.56523             6.80916             4.79354
     C             4.01382             7.04257             3.39047
     C             7.02158             2.80141             3.85548
     C             6.57920             2.61117             5.25934
     C             6.26125             3.91876             5.83802
     C             6.56313             4.89102             4.79704
     C             6.99723             4.25449             3.56057
     C             9.55225             3.50000             2.83480
     C             9.55225             3.50000             4.20720
     C            10.77358             3.50000             2.12077
     H            10.69281             3.50000             1.03615
     C            11.98645             3.50000             2.81376
     H            12.92472             3.50000             2.26927
     C            11.98645             3.50000             4.22824
     H            12.92472             3.50000             4.77273
     C            10.77358             3.50000             4.92123
     H            10.69281             3.50000             6.00585
           70
 Energy:   -451.2016739411558    
     C             4.04733             2.19305             0.14567
     C             2.67556             1.77090             0.46757
     C             1.81435             2.97805             0.31991
     C             2.68488             4.12187            -0.05781
     C             4.11012             3.62784            -0.21470
     C             5.75589             0.81394             3.04373
     C             4.78522             0.61108             1.93826
     C             5.09802             1.60218             0.91328
     C             6.21744             2.38994             1.44177
     C             6.66055             1.88207             2.76787
     C             1.63675             0.44263             3.67059
     C             1.28840             0.98053             2.36606
     C             2.40195             0.77458             1.44778
     C             3.47845             0.13638             2.18615
     C             3.01351            -0.07856             3.64313
     C             0.08522             4.18109             3.23676
     C             0.48175             4.42052             1.83875
     C             0.66514             3.13401             1.19661
     C             0.38640             2.08695             2.15967
     C             0.00318             2.77125             3.42689
     C             3.17425             6.80787             2.34615
     C             3.54477             6.12017             1.11978
     C             2.44410             5.38281             0.55538
     C             1.37175             5.50192             1.55316
     C             1.81602             6.41504             2.61090
     C             6.57932             4.72057             2.26249
     C             6.18497             3.77309             1.20859
     C             5.16414             4.41386             0.34145
     C             4.88616             5.69909             0.94992
     C             5.76352             5.88911             2.12009
     C             4.26668             2.91715             6.94659
     C             2.89915             3.36042             7.08356
     C             2.90943             4.79499             6.85962
     C             4.32486             5.22114             6.58700
     C             5.14726             4.07655             6.70646
     C             3.93170             0.12631             4.68104
     C             3.47596             0.84966             5.86599
     C             4.55320             1.64946             6.36046
     C             5.70528             1.46078             5.47430
     C             5.31139             0.55595             4.38259
     C             0.33233             2.30616             4.72569
     C             0.69766             3.22141             5.81388
     C             1.79324             2.57536             6.56088
     C             2.05138             1.28178             5.94214
     C             1.14743             1.10704             4.80036
     C             1.25283             6.28978             3.95447
     C             2.24235             6.38960             5.08736
     C             1.88256             5.38810             6.05661
     C             0.83270             4.56833             5.51511
     C             0.39532             5.11635             4.25036
     C             5.40107             6.55214             3.35551
     C             5.81175             6.07541             4.70740
     C             4.64795             6.20607             5.58466
     C             3.57379             6.84093             4.85206
     C             4.03555             7.06660             3.49355
     C             6.95462             2.71342             3.91264
     C             6.56980             2.55823             5.24168
     C             6.29173             3.85886             5.82073
     C             6.61137             4.91957             4.81976
     C             6.73057             4.38858             3.55168
     C             8.27695             3.48762             2.64311
     C             8.25689             3.42532             4.34109
     C             9.27998             3.49972             2.07856
     H             9.28131             3.50149             0.99232
     C            10.46435             3.49993             2.82286
     H            11.40138             3.50003             2.28767
     C            10.46715             3.50033             4.21768
     H            11.40176             3.50009             4.75457
     C             9.27979             3.50159             4.96442
     H             9.28016             3.49724             6.04712
           70
 Energy:   -432.4568957259518    
     C             4.07517             2.23039             0.16545
     C             2.68674             1.88245             0.45535
     C             1.82592             3.01915             0.28876
     C             2.72666             4.14218            -0.09354
     C             4.10895             3.63978            -0.18504
     C             5.70804             0.69298             2.96680
     C             4.84403             0.62183             1.90952
     C             5.11938             1.64683             0.92313
     C             6.18362             2.36462             1.33875
     C             6.57049             1.70145             2.64102
     C             1.67825             0.36909             3.62478
     C             1.30433             0.92267             2.31391
     C             2.43541             0.82558             1.41709
     C             3.53553             0.11734             2.17422
     C             3.06743            -0.09519             3.51056
     C             0.10760             4.23155             3.16483
     C             0.53505             4.45183             1.81523
     C             0.75406             3.12252             1.19641
     C             0.45430             2.05460             2.23433
     C             0.04879             2.77983             3.42624
     C             3.21528             6.82362             2.42333
     C             3.62600             6.24109             1.09290
     C             2.51887             5.38659             0.61259
     C             1.43817             5.51750             1.55898
     C             1.84508             6.37917             2.68572
     C             6.60633             4.83946             2.04256
     C             6.15289             3.79585             0.94800
     C             5.16910             4.40825             0.38427
     C             4.94054             5.76914             0.96442
     C             5.73715             6.09817             2.04308
     C             4.34571             2.86345             6.96786
     C             2.93336             3.35906             7.06206
     C             2.96768             4.83203             6.86674
     C             4.34505             5.26960             6.61648
     C             5.25392             4.01564             6.71241
     C             3.94613             0.12290             4.64625
     C             3.45158             0.78850             5.88468
     C             4.56755             1.61282             6.32989
     C             5.59017             1.23917             5.56092
     C             5.32188             0.57515             4.34536
     C             0.34448             2.25750             4.71310
     C             0.81890             3.17137             5.73774
     C             1.87364             2.55980             6.53440
     C             2.14030             1.22994             5.96305
     C             1.23859             1.09178             4.80774
     C             1.32467             6.28685             3.97501
     C             2.23750             6.42458             5.12264
     C             1.93517             5.34229             6.06149
     C             0.82767             4.59298             5.49938
     C             0.44896             5.15146             4.20498
     C             5.48279             6.61950             3.37793
     C             5.80368             6.29665             4.86107
     C             4.67696             6.27966             5.66270
     C             3.59804             6.86399             4.87982
     C             4.08056             7.06526             3.49184
     C             6.41308             2.14401             3.99630
     C             6.24924             2.42462             5.61968
     C             6.35474             3.89328             5.86196
     C             6.59157             4.92799             4.99828
     C             5.81727             4.71789             3.59462
     C             7.19982             3.65382             2.47538
     C             7.34353             3.36296             4.20823
     C             8.49046             3.50023             1.55506
     H             8.59671             3.52935             0.40476
     C             9.15880             3.50318             2.85531
     H            10.25460             3.49499             2.73355
     C             9.27545             3.55256             4.19102
     H            10.24227             3.50597             4.46779
     C             8.34597             3.59427             5.38155
     H             8.34818             3.53616             6.48699
           70
 Energy:   -417.4518541252440    
     C             4.07231             2.27082             0.16004
     C             2.75880             1.86439             0.44766
     C             1.92294             3.05703             0.25669
     C             2.74478             4.20246            -0.07186
     C             4.01497             3.68219            -0.15449
     C             5.63989             0.10989             2.79858
     C             4.72628             0.47461             1.69819
     C             4.95104             1.48826             0.84766
     C             6.26310             2.32563             1.13442
     C             6.55728             1.44623             2.43398
     C             1.74520             0.35859             3.59068
     C             1.31430             0.88183             2.27971
     C             2.51389             0.84762             1.38519
     C             3.47834             0.19861             2.05048
     C             3.12075            -0.11449             3.46902
     C             0.10966             4.27329             3.15759
     C             0.62965             4.44333             1.78368
     C             0.85238             3.14072             1.21155
     C             0.57930             2.13099             2.23713
     C             0.08289             2.81470             3.44708
     C             3.25944             6.84576             2.40176
     C             3.62055             6.35978             1.09089
     C             2.61760             5.44016             0.64595
     C             1.49365             5.54201             1.59243
     C             1.91627             6.40543             2.66024
     C             6.51607             5.19333             1.72054
     C             6.29758             3.80546             0.59857
     C             4.91814             4.68351             0.19009
     C             4.89430             5.87069             0.88007
     C             5.88516             6.41751             2.05533
     C             4.39020             2.86345             6.98923
     C             3.06444             3.38334             7.05665
     C             3.06028             4.80603             6.84762
     C             4.45074             5.24712             6.67198
     C             5.12324             4.10905             6.88864
     C             3.84433             0.10269             4.59902
     C             3.43323             0.65193             5.80292
     C             4.29284             1.51126             6.60624
     C             5.56043             0.74502             5.98405
     C             5.29433             0.35522             4.27499
     C             0.48635             2.20671             4.70622
     C             0.92085             3.18369             5.71879
     C             1.99376             2.56588             6.51720
     C             2.17287             1.23289             5.95374
     C             1.33406             0.98934             4.80478
     C             1.44161             6.26468             3.98302
     C             2.27862             6.49872             5.12131
     C             1.99160             5.40800             6.06869
     C             0.86112             4.57298             5.53714
     C             0.53263             5.15096             4.22695
     C             5.52672             6.92389             3.39210
     C             5.95463             6.53877             4.95474
     C             4.60332             6.44793             5.82739
     C             3.59400             6.88097             4.89486
     C             4.08436             7.08800             3.56562
     C             6.01565             1.87955             4.30843
     C             6.14234             2.32362             5.88149
     C             6.31519             3.87675             6.17517
     C             6.46207             5.04302             4.87268
     C             5.27767             4.68820             3.76946
     C             6.90075             4.00623             2.71137
     C             6.29458             3.59954             3.99358
     C             7.56117             3.45645             1.09341
     H             8.12892             3.49377             0.02148
     C             8.47761             3.48431             2.68009
     H             9.31931             3.37371             2.10971
     C             8.67805             3.67097             4.49691
     H             9.73190             3.60050             4.74290
     C             7.63210             3.68067             5.64814
     H             8.05826             3.61059             6.90683
           70
 Energy:   -417.0552407465418    
     C             4.03748             2.28873             0.10648
     C             2.68073             1.85334             0.35599
     C             1.89106             2.99985             0.29801
     C             2.60251             4.23156            -0.01123
     C             4.02184             3.78398            -0.22523
     C             5.87556            -0.15554             2.74608
     C             4.75719             0.14939             1.54735
     C             5.08888             1.46686             0.68339
     C             6.39746             2.10833             1.10292
     C             6.51930             1.12071             2.29533
     C             1.70676             0.34035             3.53681
     C             1.32420             0.97396             2.25762
     C             2.31577             0.87141             1.29892
     C             3.39844             0.06441             2.02259
     C             3.04915            -0.11267             3.38763
     C             0.15065             4.24586             3.22098
     C             0.68784             4.46081             1.84196
     C             0.94842             3.17582             1.23665
     C             0.66366             2.16530             2.20580
     C             0.18110             2.78170             3.44735
     C             3.29923             6.92935             2.43375
     C             3.51259             6.43786             1.10169
     C             2.52652             5.49417             0.61238
     C             1.56103             5.54589             1.59000
     C             1.96320             6.45102             2.64642
     C             6.57808             5.13470             1.40771
     C             6.10454             4.39889             0.39976
     C             5.00701             4.78199             0.01450
     C             4.89833             6.21246             0.81704
     C             6.00762             6.63282             2.02674
     C             4.27969             2.82887             7.12412
     C             2.98576             3.41977             7.02703
     C             3.05389             4.82516             6.77888
     C             4.36097             5.41416             6.73563
     C             5.12270             4.05651             7.17104
     C             3.89614             0.00823             4.56068
     C             3.39267             0.56443             5.85210
     C             4.42060             1.29711             6.90975
     C             5.66481             0.49848             6.06640
     C             5.49659             0.23345             4.43141
     C             0.63263             2.24463             4.65449
     C             1.01540             3.14420             5.75154
     C             2.08681             2.54695             6.48030
     C             2.12915             1.13735             5.89588
     C             1.28478             0.98157             4.75009
     C             1.48328             6.21988             3.93962
     C             2.29566             6.46721             5.13730
     C             2.03847             5.45755             6.13159
     C             1.00423             4.59270             5.57693
     C             0.61003             5.10298             4.25291
     C             5.60672             7.17476             3.48960
     C             6.03623             6.60910             4.92831
     C             4.75954             6.58454             5.89746
     C             3.62607             6.92997             4.94842
     C             4.07660             7.14992             3.57614
     C             5.73698             1.93343             4.53625
     C             6.07585             2.02926             6.02342
     C             6.22216             3.67980             6.38345
     C             6.20968             5.16912             4.59661
     C             4.63979             4.86561             3.98725
     C             6.67827             4.38352             2.87182
     C             5.31695             3.26210             4.06857
     C             7.39247             3.14621             0.85416
     H             8.52007             3.20278             0.32184
     C             7.81113             3.54793             2.87019
     H             8.87893             3.27149             2.51266
     C             7.87781             3.65151             4.29756
     H             9.01294             3.74158             4.49469
     C             7.51441             3.72352             5.73882
     H             8.58502             3.58509             6.37266
           70
 Energy:   -413.4169135237627    
     C             4.11846             2.29142             0.02929
     C             2.62291             1.84264             0.24758
     C             1.77430             3.09466             0.26356
     C             2.62601             4.20867            -0.05286
     C             3.95246             3.85818            -0.29227
     C             5.85543            -0.08666             2.97086
     C             4.95830             0.02941             1.58156
     C             5.21734             1.38282             0.61157
     C             6.55302             1.77409             1.13733
     C             6.58435             0.79169             2.07244
     C             1.56375             0.39369             3.48644
     C             1.24434             1.02908             2.26983
     C             2.32136             0.72394             1.19950
     C             3.43214            -0.07033             1.86501
     C             3.03041            -0.11811             3.42437
     C             0.23213             4.21022             3.26544
     C             0.67129             4.51727             1.96590
     C             0.84617             3.24688             1.33659
     C             0.55496             2.23452             2.23385
     C             0.25170             2.83232             3.42021
     C             3.21844             7.03975             2.47864
     C             3.55794             6.57377             1.05582
     C             2.40878             5.56852             0.54103
     C             1.43389             5.62234             1.68804
     C             1.88727             6.47950             2.70846
     C             6.68145             5.38613             1.72877
     C             6.65035             4.46296             0.28901
     C             4.79392             5.12342            -0.25854
     C             5.01685             6.43095             0.73368
     C             5.97593             6.70704             1.89146
     C             4.19117             2.70324             7.43565
     C             2.91743             3.37738             6.98614
     C             3.01254             4.86388             6.82109
     C             4.46161             5.52973             6.87752
     C             5.18284             4.05049             7.27645
     C             4.02607            -0.05315             4.56101
     C             3.53764             0.51248             5.97737
     C             4.61788             1.08737             6.98767
     C             5.64380             0.41829             5.94667
     C             5.66103             0.30677             4.29662
     C             0.61283             2.37217             4.62564
     C             1.02634             3.17820             5.68067
     C             1.96719             2.43385             6.41810
     C             2.14417             1.08591             5.91546
     C             1.20353             1.02724             4.70117
     C             1.47987             6.21516             3.99676
     C             2.35609             6.49201             5.11331
     C             1.95562             5.50290             6.11157
     C             1.03915             4.55012             5.56682
     C             0.66110             5.05399             4.29633
     C             5.62864             7.27593             3.43013
     C             5.99838             6.63901             4.85157
     C             4.87092             6.63128             5.86222
     C             3.69968             7.03601             4.99908
     C             4.16974             7.31813             3.60978
     C             5.35644             1.86707             4.77052
     C             6.05155             1.94850             6.14424
     C             6.35742             3.18672             6.55579
     C             5.75404             5.21501             3.99080
     C             4.37966             4.59352             4.30129
     C             6.28824             4.94714             2.94872
     C             4.35241             3.10243             4.04765
     C             6.93807             3.02712             0.38600
     H             7.84752             2.97748             0.63937
     C             7.28215             3.51637             2.88808
     H             7.96455             3.13066             2.23695
     C             7.39199             3.58187             4.54488
     H             8.78812             4.06054             4.64181
     C             7.33216             3.83585             5.90565
     H             8.28766             3.92658             6.46291
           70
 Energy:   -408.7233316918463    
     C             4.21905             2.25890            -0.00513
     C             2.67004             1.83678             0.21723
     C             1.77411             3.12194             0.24939
     C             2.55338             4.33034            -0.06372
     C             4.05817             3.90828            -0.32659
     C             5.82664            -0.02125             2.89752
     C             4.86312             0.09117             1.60970
     C             5.14620             1.15090             0.65696
     C             6.57400             1.65113             0.81755
     C             7.08393             0.48867             1.97803
     C             1.67333             0.40707             3.52032
     C             1.28262             0.93066             2.09326
     C             2.38953             0.64830             1.16480
     C             3.50475            -0.14666             1.85455
     C             3.07754            -0.14466             3.44188
     C             0.29102             4.30830             3.32196
     C             0.61310             4.56863             1.99174
     C             0.74929             3.33873             1.21359
     C             0.45707             2.18559             2.18092
     C             0.14195             2.90883             3.46717
     C             3.19260             7.12107             2.48333
     C             3.61269             6.69034             1.06769
     C             2.39948             5.64114             0.57359
     C             1.36932             5.74987             1.64586
     C             1.86541             6.57056             2.78135
     C             6.80405             5.70942             1.49697
     C             7.10084             4.62069             0.53937
     C             4.93415             5.37476            -0.35938
     C             4.97128             6.49055             0.59829
     C             5.89235             6.88703             1.77894
     C             4.29114             2.59290             7.62169
     C             3.03316             3.20330             7.05877
     C             3.10780             4.85825             6.95008
     C             4.66043             5.39541             6.96688
     C             5.19112             3.88538             7.29291
     C             4.04331             0.00880             4.70060
     C             3.62495             0.42556             5.91166
     C             4.59610             1.07896             7.01466
     C             5.59591             0.25697             5.89300
     C             5.45660             0.40096             4.28607
     C             0.52265             2.26519             4.67544
     C             0.98002             3.14622             5.66025
     C             1.94358             2.48455             6.48741
     C             2.26666             1.03128             5.90547
     C             1.23865             1.05765             4.77384
     C             1.47056             6.25051             4.10691
     C             2.45048             6.54653             5.16659
     C             2.04628             5.46882             6.15659
     C             0.98596             4.56766             5.56564
     C             0.69284             5.12928             4.32617
     C             5.65581             7.19429             3.12815
     C             5.91331             6.49618             4.69427
     C             4.85442             6.55559             5.88496
     C             3.77157             7.11669             4.97270
     C             4.12017             7.49842             3.58426
     C             4.72753             1.99362             4.70047
     C             6.03530             1.72952             6.17059
     C             6.32814             3.13634             7.02567
     C             4.94287             5.48151             3.89279
     C             4.36164             4.06658             4.53832
     C             6.37427             4.86325             2.79164
     C             3.71461             2.80536             4.35710
     C             6.55533             3.01990            -0.00966
     H             7.48375             2.58252            -0.44397
     C             6.55263             3.62374             3.16198
     H             7.12387             3.29102             2.47641
     C             7.30129             3.64958             4.67401
     H             8.56196             3.74478             3.92239
     C             7.20468             3.97887             6.14437
     H             7.76067             4.73858             6.54168
           70
 Energy:   -405.9868257764008    
     C             4.17963             2.35484             0.03881
     C             2.77545             1.91320             0.29149
     C             1.89364             3.13515             0.26144
     C             2.66910             4.43352            -0.02847
     C             4.28818             3.97860            -0.27698
     C             5.97063             0.19861             2.62947
     C             4.77601             0.20176             1.71759
     C             5.11728             1.15752             0.64458
     C             6.59607             1.40961             0.60231
     C             7.31881             0.54080             1.72053
     C             1.84652             0.45711             3.50310
     C             1.31792             0.89249             2.13914
     C             2.47792             0.73722             1.12343
     C             3.39329            -0.10986             2.07947
     C             3.13420            -0.16555             3.44587
     C             0.25242             4.36330             3.30062
     C             0.58731             4.69872             1.84548
     C             0.67833             3.30475             1.14546
     C             0.43607             2.16514             2.09012
     C             0.02110             2.78915             3.45028
     C             3.18539             7.23281             2.45975
     C             3.47172             6.71700             1.12453
     C             2.48324             5.78419             0.69189
     C             1.38751             5.87300             1.65051
     C             1.87423             6.69041             2.76880
     C             6.88348             5.73909             1.33093
     C             7.29726             4.38311             0.66100
     C             5.03265             5.36185            -0.35582
     C             4.78581             6.53659             0.56708
     C             5.88494             7.00181             1.50840
     C             4.30574             2.52556             7.60825
     C             3.12705             3.23694             7.26319
     C             3.28449             4.65837             7.06152
     C             4.70757             5.17691             6.90222
     C             5.05172             3.74068             7.50832
     C             3.77924            -0.13890             4.58814
     C             3.46970             0.49662             5.95662
     C             4.66095             1.13118             6.88446
     C             5.57795             0.19491             5.88647
     C             5.29599             0.54619             4.24348
     C             0.43310             2.17919             4.74984
     C             0.94478             3.16206             5.83437
     C             2.10484             2.47091             6.55583
     C             2.29339             1.14529             5.94896
     C             1.41232             0.95554             4.75804
     C             1.57267             6.46317             4.13219
     C             2.48186             6.55092             5.30172
     C             2.26517             5.36959             6.26334
     C             1.06155             4.64359             5.72064
     C             0.65952             5.27568             4.40308
     C             5.53472             7.13739             3.04055
     C             5.66268             6.37611             4.39074
     C             4.90665             6.37183             5.94924
     C             3.78432             7.13787             4.95962
     C             4.15646             7.53456             3.48762
     C             4.35860             1.71525             4.62637
     C             5.99427             1.83312             6.47205
     C             6.43441             3.04220             7.02171
     C             4.42356             5.32056             3.84856
     C             4.23861             3.97077             4.50205
     C             6.09686             5.13564             2.68316
     C             3.35617             2.76911             4.80724
     C             6.68214             3.29246            -0.06652
     H             6.00559             2.97157            -0.90698
     C             6.06381             3.65450             3.71510
     H             6.47177             2.60316             3.52378
     C             7.22296             3.73438             4.66589
     H             8.49312             3.26683             5.18482
     C             7.20100             4.03653             6.22948
     H             6.97950             5.05664             6.42127
           70
 Energy:   -408.7170663375723    
     C             4.22526             2.45048             0.15257
     C             2.83995             2.09296             0.40346
     C             2.00471             3.24845             0.32080
     C             2.94268             4.46215             0.10124
     C             4.18723             4.05532            -0.14519
     C             6.08493             0.51963             2.69186
     C             4.84381             0.37933             1.79745
     C             5.13782             1.43804             0.48172
     C             6.65556             1.21191             0.40633
     C             7.14763             0.73907             1.54988
     C             1.76299             0.54759             3.49811
     C             1.37499             1.04060             2.24128
     C             2.47842             0.86994             1.22047
     C             3.51075             0.07427             1.98971
     C             2.91777            -0.25380             3.34703
     C             0.18390             4.35661             3.29303
     C             0.56169             4.68433             1.79293
     C             0.80073             3.28369             1.09154
     C             0.48167             2.14787             2.10156
     C             0.05975             2.74215             3.41929
     C             3.13634             7.36034             2.39378
     C             3.47936             6.74949             1.11015
     C             2.47568             5.74585             0.71178
     C             1.41245             5.88832             1.68597
     C             1.85374             6.84327             2.79792
     C             6.81192             5.48626             1.44765
     C             7.45292             4.26946             0.76445
     C             5.04123             5.28108            -0.23071
     C             4.72145             6.56113             0.54607
     C             5.92286             6.83498             1.35228
     C             4.20652             2.37122             7.62035
     C             3.03919             3.18200             7.40700
     C             3.37467             4.54631             7.01514
     C             4.75626             4.99999             6.79538
     C             5.32478             3.69662             7.65038
     C             3.71392            -0.51499             4.66501
     C             3.42970             0.45505             6.00687
     C             4.47061             1.12784             6.83085
     C             5.74616             0.62657             5.61835
     C             5.42172             0.49879             4.08402
     C             0.46593             2.19910             4.77046
     C             1.01135             3.20104             6.00227
     C             2.11643             2.55897             6.60317
     C             2.22325             1.25799             5.95348
     C             1.45549             1.05425             4.75031
     C             1.57961             6.53305             4.20380
     C             2.55382             6.54760             5.34981
     C             2.45147             5.30550             6.29758
     C             1.17710             4.63795             5.79689
     C             0.67229             5.30455             4.46078
     C             5.51620             7.17888             2.86385
     C             5.23205             6.05457             4.16338
     C             5.03569             6.09997             5.81076
     C             3.89493             7.05147             5.00363
     C             4.05898             7.50156             3.42712
     C             4.07698             1.59260             4.52075
     C             6.17415             1.60101             6.69259
     C             6.37890             3.08756             6.87018
     C             4.16483             5.16507             3.98378
     C             3.76681             3.96710             4.44763
     C             5.92799             4.95238             2.75789
     C             3.43576             2.90627             5.11595
     C             6.93128             3.36125            -0.11593
     H             5.78469             3.09594            -0.19787
     C             5.91561             4.10670             3.89642
     H             5.22278             3.66108             3.56477
     C             7.21286             3.81949             4.90078
     H             7.76066             2.85754             4.03010
     C             7.04418             4.10726             6.23631
     H             6.66775             5.20103             6.52567
           70
 Energy:   -405.9704654464858    
     C             4.27063             2.60359             0.21828
     C             2.87646             2.15288             0.54265
     C             2.08968             3.36086             0.42025
     C             2.75940             4.47166             0.30676
     C             4.22456             4.08988            -0.02970
     C             6.05731             0.74998             2.84929
     C             5.02593             0.77848             1.59824
     C             5.27355             1.58332             0.41403
     C             6.58192             1.04799             0.09784
     C             6.99658             0.81818             1.68272
     C             1.58921             0.54627             3.52329
     C             1.43744             1.21534             2.19884
     C             2.52224             1.08839             1.35648
     C             3.61043             0.23037             1.87578
     C             2.96748            -0.37898             3.36270
     C             0.17404             4.29840             3.29713
     C             0.57072             4.58016             1.94365
     C             0.92596             3.37496             1.18921
     C             0.56127             2.29826             2.14802
     C             0.19159             2.88844             3.45350
     C             3.02302             7.43460             2.33073
     C             3.52652             6.78507             1.01907
     C             2.48628             5.71966             0.74398
     C             1.36418             5.76584             1.73058
     C             1.72848             6.85488             2.80414
     C             6.70525             5.16268             1.56081
     C             7.63430             4.44220             0.93571
     C             4.97151             5.17918            -0.11210
     C             4.95187             6.43865             0.44612
     C             5.96606             6.49892             1.48616
     C             4.33528             2.43697             7.69372
     C             3.03262             3.11386             7.42185
     C             3.38838             4.54424             6.91982
     C             4.91288             4.81940             6.78094
     C             5.30932             3.47692             7.64678
     C             3.56551            -0.68754             4.81854
     C             3.39734             0.25161             5.99248
     C             4.71746             1.06187             6.62234
     C             5.77345             1.10534             5.36021
     C             5.36292             0.82860             4.06712
     C             0.55286             2.43903             4.75950
     C             0.96641             3.27341             5.88011
     C             1.94761             2.46207             6.69932
     C             2.31302             1.16320             5.90411
     C             1.34388             1.27009             4.77550
     C             1.52182             6.41545             4.27215
     C             2.62102             6.48931             5.34037
     C             2.41632             5.33548             6.14004
     C             1.25689             4.61832             5.70896
     C             0.76666             5.18221             4.47133
     C             5.54098             7.09036             2.71791
     C             5.22797             6.09082             3.88400
     C             5.07923             5.84108             5.57827
     C             3.93034             7.01875             5.10022
     C             4.07815             7.47661             3.47472
     C             4.08124             1.32770             4.33596
     C             6.25086             1.50541             6.87281
     C             6.44066             2.93354             6.86851
     C             3.75159             5.01837             3.98842
     C             3.05343             4.01740             4.50986
     C             6.01568             4.79537             2.66541
     C             3.75701             2.59289             5.20653
     C             7.21327             3.40544            -0.13400
     H             6.97000             2.82614            -1.29143
     C             5.99579             4.37485             4.09001
     H             5.12945             2.64541             3.35263
     C             7.10431             3.86367             4.79160
     H             7.83888             2.97319             4.02669
     C             6.88492             4.13129             6.12226
     H             7.34772             5.05241             6.78990
           70
 Energy:   -404.0941992947522    
     C             4.30077             2.70528             0.20543
     C             3.01023             2.26829             0.58535
     C             1.93476             3.23385             0.58907
     C             2.84472             4.49083             0.29013
     C             4.12987             4.06904             0.10541
     C             5.85733             0.98435             2.75041
     C             4.89886             1.01698             1.63048
     C             5.31381             1.75693             0.28915
     C             6.68468             0.86744             0.10599
     C             7.06807             0.86907             1.60017
     C             1.64961             0.46880             3.46842
     C             1.40553             1.26995             2.26908
     C             2.66323             1.23264             1.46639
     C             3.63070             0.38183             2.05419
     C             3.09003            -0.31535             3.42747
     C             0.23709             4.43231             3.39663
     C             0.63077             4.69294             2.07199
     C             0.84783             3.49595             1.41037
     C             0.63112             2.45097             2.27829
     C             0.24109             3.03589             3.48717
     C             2.97583             7.42532             2.39461
     C             3.58302             6.82363             0.93253
     C             2.43458             5.81982             0.88177
     C             1.35725             5.79454             1.81154
     C             1.62072             6.71513             2.80069
     C             6.76490             5.12965             1.48953
     C             7.72080             4.35411             0.78854
     C             5.04351             5.10761            -0.20733
     C             5.02248             6.36622             0.56595
     C             5.98629             6.33172             1.55748
     C             4.31157             2.21978             7.47330
     C             3.09149             3.09548             7.29512
     C             3.33971             4.49911             6.85445
     C             4.88445             4.71289             6.70624
     C             5.32387             3.37563             7.47503
     C             3.32939            -0.70968             4.85088
     C             3.55197             0.25726             5.94453
     C             4.67983             1.12460             6.58747
     C             5.97552             1.42252             5.37557
     C             5.40483             1.09229             4.12343
     C             0.62840             2.57566             4.67785
     C             0.96598             3.27899             5.90263
     C             1.90173             2.29306             6.77236
     C             2.21908             1.14327             5.91544
     C             1.32278             1.24421             4.71020
     C             1.54701             6.35649             4.14303
     C             2.56412             6.47245             5.24045
     C             2.40660             5.25524             6.11010
     C             1.22071             4.58258             5.60161
     C             0.78999             5.10669             4.34363
     C             5.50780             6.93241             2.66340
     C             5.18877             5.94719             3.80420
     C             4.96351             5.69370             5.37537
     C             3.90511             6.92783             5.14154
     C             4.18292             7.47572             3.55707
     C             3.89044             1.33458             4.23340
     C             6.38134             1.51137             6.81492
     C             6.66448             2.92996             7.07353
     C             3.43607             4.89749             4.01782
     C             2.84104             3.67554             4.71859
     C             5.98592             4.24881             2.67002
     C             3.69982             2.52654             4.86444
     C             7.64050             3.56606            -0.15019
     H             8.30871             3.93271            -0.98572
     C             6.04059             4.66894             4.17254
     H             4.97522             3.10498             2.93211
     C             6.97983             3.89179             4.63506
     H             8.26006             3.56468             4.81063
     C             6.97141             3.89380             6.16656
     H             7.64260             4.78419             6.53122
           70
 Energy:   -403.3660180904204    
     C             4.28743             2.75713             0.12922
     C             2.95888             2.24094             0.66596
     C             1.98692             3.44414             0.56364
     C             2.71252             4.53478             0.32370
     C             4.18584             4.17615             0.01126
     C             5.97204             1.20157             2.55249
     C             4.80639             1.05346             1.71179
     C             5.40731             1.70680             0.18817
     C             6.67849             0.91056             0.29635
     C             7.09166             0.87287             1.58112
     C             1.77286             0.49155             3.45229
     C             1.48110             1.23899             2.28988
     C             2.61549             1.23973             1.57566
     C             3.63469             0.54935             2.30940
     C             3.03318            -0.18106             3.44966
     C             0.18268             4.55066             3.36499
     C             0.57970             4.87902             2.03039
     C             0.81372             3.51099             1.42773
     C             0.62406             2.38509             2.40831
     C             0.15754             3.10078             3.62666
     C             3.06080             7.33314             2.50827
     C             3.63816             6.86961             1.02708
     C             2.46925             5.74203             0.80424
     C             1.42151             5.96520             1.73175
     C             1.86261             6.84414             2.79389
     C             6.75130             4.89444             1.78749
     C             7.73598             4.43403             0.83851
     C             5.11699             5.15183            -0.31868
     C             4.88083             6.24385             0.51592
     C             5.99320             6.36288             1.50387
     C             4.25695             2.32211             7.26687
     C             3.04020             2.95889             7.11425
     C             3.32203             4.34531             6.80779
     C             4.67607             4.65452             6.48391
     C             5.33577             3.39294             7.24130
     C             3.28877            -0.65379             4.79763
     C             3.52441             0.45393             5.83452
     C             4.85810             1.02810             6.37851
     C             5.99990             1.40916             5.31241
     C             5.37861             1.31552             4.05306
     C             0.70479             2.30726             4.73486
     C             1.03724             3.11216             6.00995
     C             1.93884             2.38076             6.71381
     C             2.16095             1.04169             5.94336
     C             1.41721             1.07040             4.64045
     C             1.62438             6.33603             4.08995
     C             2.49445             6.40903             5.17647
     C             2.36846             5.21398             6.08990
     C             1.16352             4.58146             5.66234
     C             0.79908             5.27067             4.44797
     C             5.52651             6.85168             2.71968
     C             5.11997             5.83298             3.91030
     C             4.77564             5.58240             5.54473
     C             3.86525             6.78334             4.98396
     C             4.23884             7.38014             3.54652
     C             4.06030             1.39076             4.15673
     C             6.49915             1.55856             6.78953
     C             6.76232             2.85497             7.37630
     C             2.95433             4.61447             4.17401
     C             2.89482             3.69593             4.84796
     C             6.05651             3.90679             2.45414
     C             3.37482             2.36415             4.41259
     C             8.24679             3.65806            -0.47994
     H             8.95519             3.52622            -1.28412
     C             6.12014             4.71430             3.81640
     H             4.53383             4.43389             1.71285
     C             7.12689             3.85577             4.90582
     H             7.52446             3.94954             3.67066
     C             7.34579             3.76033             6.20617
     H             7.67604             4.66293             6.73967
           70
 Energy:   -406.4127033402025    
     C             4.25780             2.64537             0.09188
     C             2.82968             2.32280             0.67011
     C             2.00192             3.40217             0.62844
     C             2.86037             4.62291             0.20782
     C             4.10791             4.11897            -0.28213
     C             6.13758             1.31270             2.64844
     C             4.95089             1.13914             1.63316
     C             5.22813             1.56748             0.29517
     C             6.65558             1.09060             0.40939
     C             7.14918             0.88235             1.78361
     C             1.68451             0.50446             3.55860
     C             1.34458             1.25660             2.39014
     C             2.57933             1.25352             1.54135
     C             3.64086             0.62054             2.30057
     C             2.98791            -0.14142             3.48286
     C             0.07195             4.54003             3.50408
     C             0.47126             4.88267             1.94183
     C             0.86841             3.52797             1.38986
     C             0.55326             2.45882             2.36050
     C             0.13300             2.98664             3.76339
     C             3.42056             7.34640             2.43849
     C             3.60356             6.70325             1.18383
     C             2.53814             6.00672             0.74879
     C             1.39876             6.12084             1.67294
     C             1.96908             6.90460             2.82693
     C             6.83029             4.91932             1.57130
     C             7.84025             4.37555             0.60721
     C             5.00155             5.23410            -0.39946
     C             4.96399             6.38128             0.57409
     C             6.00868             6.17565             1.58525
     C             4.45405             2.38903             7.04548
     C             3.11157             2.93028             7.09717
     C             3.13431             4.37676             6.81709
     C             4.55799             4.48268             6.46929
     C             5.32069             3.50663             7.05215
     C             3.49689            -0.46734             4.75066
     C             3.47413             0.47336             5.77489
     C             4.89667             1.03697             6.37758
     C             6.11243             1.29940             5.18499
     C             5.78603             1.47236             3.80462
     C             0.54904             2.25100             4.86324
     C             0.95311             3.07688             5.86508
     C             1.94115             2.19149             6.59440
     C             2.22082             1.00635             6.01496
     C             1.39563             0.96121             4.86175
     C             1.60340             6.48681             4.16526
     C             2.56722             6.38048             5.35689
     C             2.27968             5.20765             6.16320
     C             1.05782             4.49315             5.76322
     C             0.56606             5.32065             4.57038
     C             5.55020             6.80998             2.96279
     C             5.39896             5.56482             4.09175
     C             4.68606             5.70397             5.54501
     C             3.82250             6.72895             4.87356
     C             4.21091             7.31237             3.57155
     C             4.22219             1.33323             4.04859
     C             6.46059             1.46169             6.79913
     C             6.79885             2.87720             7.31429
     C             2.46884             4.78441             4.06975
     C             2.81323             3.38553             5.00285
     C             6.01584             3.72913             2.49132
     C             2.88271             2.30004             4.20604
     C             8.79110             3.94239            -0.52719
     H             9.08612             3.16332            -1.18818
     C             6.15891             4.35862             3.80546
     H             4.76131             4.97867             1.57279
     C             7.16376             3.99706             4.71935
     H             7.92688             2.96848             4.92958
     C             7.74285             3.70085             6.44194
     H             8.18315             4.55570             6.83823
           70
 Energy:   -406.4248246498151    
     C             4.08688             2.53377            -0.03621
     C             2.87501             2.30769             0.58890
     C             2.06668             3.58789             0.63820
     C             2.77162             4.65072             0.09929
     C             4.10728             4.08110            -0.52529
     C             6.19423             1.27591             2.50197
     C             5.00626             1.06683             1.88897
     C             5.07982             1.56444             0.40148
     C             6.74720             1.24254             0.48061
     C             7.34595             0.95276             1.70612
     C             1.53721             0.42909             3.72712
     C             1.24806             1.31805             2.40641
     C             2.45375             1.30429             1.52883
     C             3.74675             0.56976             2.03668
     C             3.04163            -0.04176             3.43516
     C            -0.03193             4.41817             3.50293
     C             0.46123             4.90179             2.05187
     C             0.82929             3.60525             1.47957
     C             0.50366             2.51034             2.36110
     C             0.06861             2.94947             3.55767
     C             3.37110             7.33433             2.45795
     C             3.84931             6.67771             1.18419
     C             2.49519             5.98503             0.62160
     C             1.32787             6.13498             1.71387
     C             1.97895             6.93013             2.85928
     C             6.84461             4.71294             1.19211
     C             7.98251             4.36040             0.28924
     C             4.89255             5.35167            -0.48139
     C             5.09572             6.41572             0.69734
     C             6.03573             6.10045             1.81586
     C             4.46856             2.39368             6.93017
     C             3.14829             2.86413             7.12830
     C             3.13121             4.39074             6.95967
     C             4.50775             4.74668             6.45619
     C             5.53875             3.49517             6.90402
     C             3.85404            -0.29952             4.64558
     C             3.67719             0.37987             5.88421
     C             4.80489             1.08417             6.27859
     C             6.31524             1.16687             5.34041
     C             5.86757             1.55448             4.09555
     C             0.32761             2.17680             4.85238
     C             0.98315             3.05819             6.00332
     C             2.02299             2.28088             6.68598
     C             2.28964             0.91447             5.98969
     C             1.06418             0.96445             4.99630
     C             1.36727             6.58201             4.34752
     C             2.46907             6.45778             5.44485
     C             2.06639             5.20850             6.29546
     C             0.92093             4.55436             5.76489
     C             0.39897             5.39872             4.67375
     C             5.62033             6.38912             3.40329
     C             5.84699             5.42083             4.29268
     C             4.88571             5.69377             5.35869
     C             3.88702             6.71524             4.91476
     C             4.43961             7.20987             3.62292
     C             4.16768             1.61923             4.01958
     C             6.42209             1.42987             6.72845
     C             6.80001             3.00169             6.93367
     C             2.14564             4.51667             4.22873
     C             2.54848             3.39980             4.63898
     C             6.22407             3.81344             2.36537
     C             2.77351             1.95070             4.09905
     C             9.11826             4.26762            -0.32771
     H             9.25142             3.27921            -0.81705
     C             6.21127             4.01551             4.10317
     H             4.54303             4.57276             1.96609
     C             7.45895             3.78234             5.08795
     H             7.46781             2.95671             4.12536
     C             7.80574             3.84700             6.33813
     H             8.78109             4.16714             6.61362
           70
 Energy:   -401.8983951862588    
     C             4.05560             2.53883            -0.22484
     C             2.64965             2.39891             0.56248
     C             1.98617             3.59692             0.68837
     C             2.69018             4.67058            -0.08862
     C             4.08574             4.11028            -0.61196
     C             6.30899             1.19204             2.85575
     C             4.92058             0.99347             1.79292
     C             5.31123             1.63032             0.48883
     C             6.65610             1.44255             0.32866
     C             7.51425             1.11835             1.61318
     C             1.51897             0.42029             3.60526
     C             1.36380             1.25653             2.40750
     C             2.49376             1.29182             1.50580
     C             3.47262             0.47725             2.13059
     C             3.14146             0.06033             3.37278
     C            -0.03800             4.55021             3.49522
     C             0.53070             4.97275             2.25796
     C             0.91262             3.69675             1.48571
     C             0.53381             2.44931             2.27306
     C            -0.10396             3.03368             3.62598
     C             3.39829             7.21938             2.70219
     C             3.71857             6.83498             1.17166
     C             2.55151             5.92443             0.63839
     C             1.38015             6.04806             1.78959
     C             1.86891             6.89236             2.95668
     C             6.81133             4.52716             1.09089
     C             7.92539             4.53758             0.18380
     C             4.97389             5.50228            -0.47670
     C             5.18899             6.15715             0.75328
     C             6.17858             5.84896             1.95381
     C             4.49612             2.56377             6.91357
     C             3.23268             3.07561             7.16970
     C             3.21171             4.46654             6.96330
     C             4.66644             4.94958             6.51590
     C             5.36290             3.60943             6.70534
     C             4.11260            -0.16755             4.43246
     C             3.67930             0.24917             5.80038
     C             4.99913             1.17970             6.33288
     C             6.33217             0.93148             5.32841
     C             5.67652             1.53679             4.06162
     C             0.20638             2.36778             4.92498
     C             0.86632             3.07118             6.01625
     C             2.06095             2.25157             6.66555
     C             2.24702             0.93482             6.02609
     C             0.96860             0.80590             4.95481
     C             1.25315             6.60372             4.43018
     C             2.37645             6.47126             5.39472
     C             2.03885             5.31016             6.46283
     C             0.71956             4.58969             5.97791
     C             0.22084             5.31060             4.60455
     C             5.84165             6.05071             3.26226
     C             6.18063             5.20482             4.66168
     C             4.96764             5.59928             5.39871
     C             3.88741             6.64476             5.06687
     C             4.47990             7.08168             3.58473
     C             4.29371             1.90093             3.98452
     C             6.54465             1.63980             6.91014
     C             6.84846             2.94410             6.79157
     C             1.95040             4.47370             4.20832
     C             2.27801             2.95550             4.12158
     C             6.59314             4.07194             2.58129
     C             2.90937             1.91307             4.16724
     C             9.35317             4.42845            -0.16266
     H            10.50726             4.15472            -0.71654
     C             6.41780             3.85694             3.94813
     H             4.29238             4.12502             2.36815
     C             7.67876             3.37647             4.73033
     H             8.91297             3.24838             4.42488
     C             7.91744             3.92983             6.43994
     H             8.90940             3.61920             6.84691
           70
 Energy:   -407.4121582267020    
     C             4.14097             2.58447            -0.20089
     C             2.66461             2.30192             0.50858
     C             1.90043             3.61808             0.50223
     C             2.67570             4.66993            -0.10932
     C             4.04380             4.27068            -0.58721
     C             6.28181             1.01652             2.66537
     C             4.99799             0.92430             1.80349
     C             5.23085             1.78130             0.51711
     C             6.80904             1.63675             0.28873
     C             7.24498             1.36670             1.62466
     C             1.67656             0.43082             3.50917
     C             1.33885             1.33370             2.31201
     C             2.46453             1.28761             1.44246
     C             3.61695             0.58766             2.05497
     C             3.04809             0.00985             3.40950
     C            -0.08596             4.59359             3.49450
     C             0.69100             4.88405             2.23598
     C             0.89096             3.70818             1.61975
     C             0.49078             2.50913             2.40255
     C            -0.16944             3.07864             3.67929
     C             3.39061             7.05284             2.68719
     C             3.68946             6.78513             1.27581
     C             2.53177             6.01108             0.81474
     C             1.52887             5.98243             1.93326
     C             1.82470             6.82533             3.09443
     C             6.97854             4.41996             1.09297
     C             8.03425             4.67023             0.15629
     C             5.05721             5.33951            -0.47251
     C             5.01219             6.06961             0.93231
     C             6.19615             5.53533             1.76011
     C             4.48019             2.62897             6.88822
     C             3.10185             3.13582             7.09070
     C             3.26385             4.79362             6.90247
     C             4.70249             4.84983             6.75483
     C             5.49988             3.69300             6.62688
     C             4.10866            -0.05976             4.33182
     C             3.79415             0.41554             5.71127
     C             4.96125             1.11849             6.53955
     C             6.20455             0.87008             5.46021
     C             5.68660             1.35012             4.05478
     C             0.27208             2.25946             4.92309
     C             0.77695             3.15694             6.06100
     C             2.05892             2.36769             6.59434
     C             2.18465             0.92829             5.96848
     C             1.05666             0.93626             4.82608
     C             1.27366             6.47522             4.35086
     C             2.39340             6.37196             5.45565
     C             2.06915             5.41647             6.47025
     C             0.69820             4.60982             6.12986
     C             0.20132             5.40683             4.77267
     C             5.83541             5.99614             3.39186
     C             6.23816             5.10543             4.61390
     C             4.96042             5.71271             5.60432
     C             3.93935             6.53446             4.99624
     C             4.55144             6.66019             3.71290
     C             4.46655             2.07372             4.02868
     C             6.66919             1.59236             6.74568
     C             6.68310             3.26325             6.77415
     C             1.86286             4.16427             4.09107
     C             1.80880             2.88747             3.68066
     C             6.96163             4.18424             2.63578
     C             3.19173             1.93848             4.23291
     C             9.38256             4.57246            -0.02296
     H            10.17535             5.49114             0.24640
     C             6.99815             3.85538             4.01988
     H             4.04174             3.67728             2.77021
     C             7.95822             3.21856             4.66810
     H             9.34796             3.29981             4.45127
     C             7.99640             3.60845             6.07556
     H             8.74004             4.02377             6.90005
           70
 Energy:   -404.6708765922507    
     C             4.13537             2.81913            -0.00295
     C             2.82229             2.35595             0.29247
     C             1.81445             3.50612             0.35858
     C             2.62305             4.84525             0.09380
     C             3.96616             4.22489            -0.46174
     C             6.10073             0.86241             2.45457
     C             4.97849             0.98200             1.64678
     C             5.17504             1.91545             0.39561
     C             6.75022             1.91148             0.35881
     C             7.09172             1.60464             1.71575
     C             1.66479             0.64735             3.46227
     C             1.27091             1.29347             2.29682
     C             2.46079             1.33648             1.34331
     C             3.71911             0.65761             2.04586
     C             3.07961             0.04561             3.21570
     C            -0.11080             4.59008             3.65638
     C             0.70532             4.85716             2.30805
     C             0.95391             3.58632             1.45997
     C             0.29573             2.54300             2.39913
     C            -0.22866             3.06956             3.78310
     C             3.48432             6.90655             2.76045
     C             3.72973             6.51991             1.40110
     C             2.47004             5.98624             0.90462
     C             1.58048             5.92280             2.01705
     C             1.99508             6.77007             3.14110
     C             7.27590             4.30141             1.06995
     C             8.12980             4.66692             0.13106
     C             5.01005             5.16302            -0.26126
     C             4.91652             5.98390             0.91507
     C             6.00975             5.32603             2.04452
     C             4.41507             2.61131             6.85511
     C             3.10454             3.31634             6.91138
     C             3.17240             4.71913             7.04591
     C             4.67160             4.99847             6.77082
     C             5.28551             3.68334             6.86501
     C             3.93862             0.02359             4.49020
     C             3.74173             0.71165             5.67723
     C             4.95575             1.17835             6.70689
     C             6.00512             0.89934             5.41554
     C             5.95854             1.08507             4.07968
     C             0.33334             2.26882             4.84885
     C             0.77072             3.12966             6.07079
     C             1.92371             2.49148             6.50440
     C             2.27556             1.07819             5.81988
     C             1.33398             1.13944             4.69050
     C             1.45482             6.33777             4.45221
     C             2.47029             6.37575             5.33774
     C             2.07832             5.45100             6.41548
     C             0.81353             4.74471             6.09617
     C             0.34058             5.47674             4.84723
     C             5.70159             5.87455             3.38751
     C             6.08652             5.08867             4.52954
     C             5.23500             5.75227             5.73655
     C             3.91529             6.33654             5.02496
     C             4.35802             6.39786             3.57305
     C             4.65464             2.17550             4.08807
     C             6.53752             1.71121             6.59391
     C             6.87264             3.17253             6.64420
     C             1.70529             3.95689             3.97482
     C             2.01986             2.61301             3.60042
     C             7.18998             4.35231             2.51046
     C             2.98923             2.21252             4.07977
     C             9.41149             4.91757             0.14501
     H             9.90552             5.63317             0.80500
     C             7.44294             4.18491             3.99095
     H             3.93603             3.21966             3.17866
     C             8.51797             3.19481             4.67541
     H             8.40659             2.30427             3.53346
     C             8.01754             3.26645             6.02360
     H             8.51923             4.37569             6.07598
           70
 Energy:   -403.8611331361106    
     C             4.11715             2.92942             0.12151
     C             2.74645             2.39524             0.27432
     C             1.87117             3.50906             0.30263
     C             2.55159             4.72143             0.12373
     C             3.87554             4.28474            -0.21695
     C             6.10674             0.83663             2.50481
     C             4.80057             1.07290             1.31585
     C             5.21088             2.04041             0.30700
     C             6.55743             2.26274             0.51096
     C             7.16231             1.77336             1.79279
     C             1.77995             0.69254             3.41186
     C             1.18100             1.35408             2.12754
     C             2.53964             1.39911             1.23691
     C             3.51882             0.72940             1.91137
     C             3.19890             0.20361             3.28194
     C            -0.10011             4.60636             3.78341
     C             0.65039             4.75876             2.34600
     C             0.79376             3.55766             1.44062
     C             0.22554             2.42442             2.25208
     C            -0.22941             2.97773             3.69301
     C             3.42596             6.83377             2.73803
     C             3.72169             6.36318             1.43653
     C             2.46537             5.86667             0.98613
     C             1.46397             5.92251             2.07268
     C             2.13357             6.63251             3.11170
     C             7.40489             4.26144             1.03746
     C             8.25094             4.61106             0.02543
     C             4.96831             5.00937            -0.15337
     C             5.20688             5.71490             1.10343
     C             5.88177             5.17870             2.21268
     C             4.22277             2.68679             6.95813
     C             3.03378             3.23523             6.80497
     C             3.16986             4.66347             7.09171
     C             4.67796             4.97967             6.91533
     C             5.45726             3.68498             7.14472
     C             3.73984             0.04885             4.52209
     C             3.60730             0.91611             5.74377
     C             4.84242             1.26886             6.69952
     C             5.93089             0.76879             5.40508
     C             5.86050             1.04990             3.83819
     C             0.42238             2.41146             4.87236
     C             0.75377             3.24930             5.96719
     C             2.02884             2.50706             6.51355
     C             2.39069             1.52259             5.77732
     C             1.39889             1.18784             4.78037
     C             1.65387             6.42445             4.35071
     C             2.73357             6.25626             5.47605
     C             2.19557             5.42298             6.48330
     C             0.92088             4.74441             5.96948
     C             0.56915             5.42296             4.78169
     C             5.37355             5.64757             3.38668
     C             6.29391             5.10696             4.57651
     C             5.34246             5.77668             5.62907
     C             4.06484             6.16863             5.05211
     C             4.30543             6.28252             3.76267
     C             4.76849             2.20003             3.97752
     C             6.29783             1.69771             6.56221
     C             6.78827             3.00731             6.62261
     C             1.53783             3.90756             3.85137
     C             2.13554             2.82934             3.39160
     C             7.32578             4.55532             2.55506
     C             3.46441             2.04200             4.13527
     C             9.54242             5.36001             0.31197
     H            10.41430             5.53743             0.80518
     C             7.71370             4.53676             3.95067
     H             6.28255             2.76511             3.88440
     C             8.70178             3.26060             4.31429
     H             8.20943             1.91521             4.46213
     C             8.33813             3.27770             6.02093
     H             8.64517             4.37102             6.32961
           70
 Energy:   -410.8749346476558    
     C             3.92268             2.87126             0.01139
     C             2.60019             2.43620             0.35974
     C             1.56553             3.50537             0.46497
     C             2.45486             4.66126             0.06639
     C             3.84651             4.27980            -0.09924
     C             6.01332             0.93435             2.20570
     C             4.91285             0.96943             1.38483
     C             5.09822             2.12866             0.42253
     C             6.55955             2.69245             0.73326
     C             7.02034             1.83890             1.72425
     C             1.72281             0.75835             3.41856
     C             1.21464             1.33971             2.02813
     C             2.25050             1.38511             1.19745
     C             3.53645             0.75984             1.72826
     C             3.12839             0.35752             3.23311
     C            -0.08343             4.50671             3.62311
     C             0.44670             4.79508             2.10949
     C             0.53689             3.60701             1.43537
     C             0.24790             2.41953             2.17875
     C            -0.28385             2.78169             3.46237
     C             3.45104             6.74558             2.76721
     C             3.92375             6.27061             1.40914
     C             2.34522             5.66942             0.95484
     C             1.31970             5.84575             1.95956
     C             1.98108             6.58294             3.02479
     C             7.62145             4.18966             0.97673
     C             8.59754             4.72004             0.05655
     C             5.14136             5.05928            -0.08910
     C             5.15540             5.57222             1.18416
     C             5.96772             5.10306             2.38243
     C             4.41834             2.68458             7.16772
     C             3.06923             3.35902             7.11869
     C             3.31080             4.70704             7.07046
     C             4.80573             4.93341             7.00518
     C             5.62988             3.64106             7.27893
     C             3.70998             0.08118             4.65144
     C             3.53180             0.81910             5.73574
     C             4.45242             1.35403             6.55630
     C             5.85523             0.58790             5.16942
     C             5.58494             0.92443             3.84242
     C             0.37750             2.41272             4.74470
     C             0.85351             3.41393             5.95316
     C             1.84851             2.76904             6.57524
     C             2.32508             1.55630             5.64248
     C             1.31718             1.36338             4.65008
     C             1.82346             6.43695             4.51174
     C             2.78724             6.24227             5.54861
     C             2.20699             5.36681             6.55431
     C             1.07708             4.76934             5.93760
     C             0.72814             5.59984             4.76473
     C             5.32463             5.23558             3.64030
     C             6.58685             5.27699             4.64385
     C             5.29363             5.51506             5.78961
     C             4.12597             6.20420             5.22901
     C             4.24155             6.37527             3.80303
     C             5.17692             2.30754             3.88186
     C             6.24220             1.47392             6.47810
     C             6.97848             3.12725             6.55250
     C             1.50127             3.90069             3.79685
     C             2.60013             2.77437             3.39120
     C             7.31854             4.74684             2.38553
     C             3.66012             2.25847             3.91410
     C             9.46776             5.64453             0.39226
     H            10.54137             5.46718             0.42967
     C             7.87405             4.62949             3.93564
     H             5.40175             2.69754             4.69551
     C             8.39775             3.50821             4.48180
     H             9.05898             2.40988             3.70888
     C             8.29823             3.42090             5.88436
     H             9.12098             3.66140             6.51645
           70
 Energy:   -408.0411137421381    
     C             3.72426             2.74622            -0.06666
     C             2.31798             2.46140             0.37575
     C             1.40939             3.53674             0.41079
     C             2.36758             4.60170             0.04359
     C             3.95919             4.20628            -0.34686
     C             5.97794             0.91204             2.29132
     C             4.81549             0.99660             1.28482
     C             5.14263             2.29128             0.58639
     C             6.55336             3.27738             0.85946
     C             6.91734             1.83015             1.72302
     C             1.59370             0.85783             3.32746
     C             1.08416             1.30528             2.16826
     C             2.29710             1.20697             1.08661
     C             3.48321             0.65523             1.80242
     C             3.12931             0.38132             3.19213
     C             0.16252             4.48434             3.56930
     C             0.12918             4.88569             2.02376
     C             0.30410             3.57882             1.29149
     C             0.24457             2.42423             2.13451
     C            -0.22734             2.93292             3.39023
     C             3.38218             6.65507             2.69629
     C             3.74419             6.14449             1.44355
     C             2.48831             5.79019             0.94193
     C             1.31519             5.83798             1.84008
     C             1.96386             6.62924             3.07776
     C             7.72504             3.98891             0.94971
     C             8.73268             4.72996             0.24443
     C             5.16910             4.96629            -0.06044
     C             5.11271             5.60377             1.32116
     C             5.91427             5.10387             2.45149
     C             4.53913             2.64667             7.44636
     C             3.24800             3.26697             7.56198
     C             3.53323             4.79665             7.24897
     C             5.05922             4.74496             7.07092
     C             5.72417             3.51366             7.29595
     C             3.75840            -0.00169             4.40059
     C             3.36774             0.81108             5.73642
     C             4.56422             1.52508             6.46263
     C             5.93673             0.40034             5.08240
     C             5.60839             0.76442             3.62906
     C             0.24810             2.52536             4.64895
     C             0.74820             3.46270             5.74723
     C             2.09414             2.76404             6.65128
     C             2.09687             1.52742             5.71140
     C             1.28575             1.53249             4.51483
     C             1.80159             6.43384             4.45538
     C             2.73837             6.42954             5.63426
     C             2.37038             5.44778             6.54628
     C             1.03919             4.94423             5.90326
     C             0.58735             5.46384             4.62364
     C             5.46382             5.11707             3.88298
     C             6.60583             5.38329             4.90507
     C             5.36533             5.37518             5.81622
     C             4.18339             6.34469             5.32848
     C             4.48367             6.27361             3.87084
     C             5.33427             2.49060             3.96236
     C             6.06956             1.60617             6.21151
     C             6.95452             2.75082             6.48871
     C             1.59714             3.58113             3.57032
     C             2.66014             3.05586             3.53796
     C             7.42031             4.79742             2.16654
     C             3.97952             2.63655             3.58147
     C             9.53395             5.92335             0.40714
     H            10.70972             6.19747             0.13022
     C             7.60099             4.90656             3.71872
     H             5.21282             3.16010             4.99337
     C             8.26752             3.59611             4.59793
     H             9.50642             3.62943             3.90822
     C             8.09273             3.49437             5.99176
     H             8.87625             2.90137             6.34279
           70
 Energy:   -403.4526349109246    
     C             3.73541             2.67787            -0.02956
     C             2.31425             2.23484             0.26608
     C             1.42478             3.62715             0.18880
     C             2.53354             4.64332            -0.03318
     C             3.87101             4.17414            -0.67859
     C             5.90581             0.80555             2.17894
     C             4.71568             1.09899             1.32565
     C             5.12809             2.56823             0.66145
     C             6.36875             3.14334             0.97840
     C             6.76886             1.95995             1.65137
     C             1.75029             0.84183             3.44420
     C             1.01429             1.29097             1.94681
     C             2.16841             1.08797             1.15742
     C             3.41879             0.58712             1.79270
     C             2.98591             0.34578             3.15545
     C             0.41087             4.57851             3.43891
     C             0.05997             4.98478             1.95887
     C             0.13795             3.61512             1.10320
     C             0.07629             2.45060             2.08253
     C            -0.33962             3.14973             3.41304
     C             3.55896             6.55362             2.98596
     C             3.69819             6.07366             1.59112
     C             2.37719             5.74356             0.75222
     C             1.27040             5.98523             1.87689
     C             2.07497             6.59111             3.00806
     C             7.78308             4.14234             0.99410
     C             8.92745             4.82107             0.42139
     C             5.05964             4.80755             0.06430
     C             5.01738             5.55593             1.33211
     C             5.93682             5.07821             2.36375
     C             4.56050             2.43171             7.68281
     C             3.28688             3.29993             7.75041
     C             3.65511             4.65764             7.53799
     C             5.20159             4.67019             7.03676
     C             5.83553             3.26258             7.31892
     C             3.73108             0.06314             4.32856
     C             3.47726             0.81261             5.63186
     C             4.61694             1.58811             6.42620
     C             6.11045             0.38610             5.01091
     C             5.75921             0.90018             3.73065
     C             0.27662             2.63046             4.75142
     C             0.95759             3.38788             5.84907
     C             2.12516             2.77905             6.61917
     C             2.02444             1.49746             5.83043
     C             1.22072             1.57939             4.62262
     C             1.54348             6.43095             4.35741
     C             2.81550             6.63776             5.54157
     C             2.44062             5.43279             6.58688
     C             0.94265             4.85331             5.92439
     C             0.59155             5.49408             4.59791
     C             5.54764             5.33326             3.70028
     C             6.56983             5.33365             5.10330
     C             5.39624             5.60218             5.99345
     C             4.28811             6.43806             5.32945
     C             4.47689             6.16289             3.91359
     C             5.48221             2.49163             4.17982
     C             5.89429             1.45236             5.72357
     C             6.65531             2.51445             6.51920
     C             1.47772             3.40620             3.34659
     C             2.88544             3.25194             3.66244
     C             7.42295             4.80929             2.19092
     C             4.18925             3.00177             3.14464
     C             9.63280             6.00942             0.33161
     H            10.06751             7.21419             0.25533
     C             7.43587             4.97392             3.69797
     H             6.74119             2.63941             4.20780
     C             8.19873             4.07319             4.47955
     H             9.28563             3.30561             4.92427
     C             7.90374             3.25570             6.04561
     H             8.94557             3.09335             6.72179
           70
 Energy:   -406.0831841155303    
     C             3.76064             2.81179            -0.11519
     C             2.43603             2.16197             0.08974
     C             1.49069             3.44290             0.05082
     C             2.49621             4.65044            -0.25117
     C             3.76501             4.06427            -0.67468
     C             5.88524             0.82462             2.12836
     C             4.61620             1.24694             1.48620
     C             4.81839             2.54369             0.74158
     C             6.52336             3.14759             0.97193
     C             6.72227             1.82360             1.72819
     C             1.51867             1.02147             3.37569
     C             0.94166             1.27136             2.16947
     C             2.09052             1.14466             1.04713
     C             3.28321             0.60505             1.74363
     C             3.00325             0.23561             3.20374
     C             0.45916             4.72794             3.34881
     C             0.23654             5.07543             1.80104
     C             0.24243             3.77691             0.95715
     C            -0.09500             2.49679             1.93001
     C            -0.13286             3.23391             3.52889
     C             3.47245             6.40750             3.00454
     C             3.75597             6.05053             1.70029
     C             2.37224             5.77733             0.88568
     C             1.32391             6.11432             1.80699
     C             2.07573             6.53645             3.09625
     C             7.71848             4.29278             1.00884
     C             9.10523             4.90203             0.55784
     C             4.86681             4.65419             0.03054
     C             4.91331             5.32828             1.25473
     C             5.91008             5.19513             2.26711
     C             4.45821             2.24895             7.74768
     C             3.17893             3.10267             7.64826
     C             3.57432             4.68652             7.48611
     C             5.10887             4.63138             7.12477
     C             5.68551             3.16190             7.46262
     C             3.70211             0.21666             4.44235
     C             3.55306             0.94086             5.59253
     C             4.46134             1.40267             6.39750
     C             6.37041             0.20059             4.77047
     C             5.81608             1.04608             3.62604
     C             0.42035             2.71126             4.96184
     C             1.10257             3.41927             6.06805
     C             2.17328             2.75757             6.80366
     C             2.34075             1.37345             5.88414
     C             1.22265             1.40149             4.75835
     C             1.66914             6.66498             4.45209
     C             2.70423             6.50729             5.48011
     C             2.43088             5.36522             6.62558
     C             1.16143             4.78069             5.97526
     C             0.71482             5.46373             4.75644
     C             5.63887             5.59431             3.63674
     C             6.38811             5.26116             4.91078
     C             5.45997             5.89210             6.17930
     C             4.28801             6.47500             5.38470
     C             4.40827             6.16646             4.02871
     C             5.50548             2.59105             3.71876
     C             5.89105             1.27074             6.04625
     C             6.62438             2.44780             6.32249
     C             1.44584             3.22453             3.27845
     C             2.92523             3.42816             3.55581
     C             7.26624             4.82692             2.41326
     C             4.55807             3.31021             3.13165
     C             9.70490             6.09382             0.21929
     H             9.15965             7.03543             0.42033
     C             7.57055             4.92804             3.78705
     H             6.47118             3.38128             3.38608
     C             8.17948             4.17269             5.00122
     H             9.20853             3.89125             4.01017
     C             7.67693             3.08727             5.74983
     H             8.30873             3.80952             6.69140
           70
 Energy:   -406.0366633281227    
     C             3.75447             2.64382            -0.23657
     C             2.38496             2.27323            -0.02486
     C             1.51754             3.37707            -0.02432
     C             2.20641             4.71204            -0.32027
     C             3.58188             4.12238            -0.56503
     C             5.70065             0.82971             2.14933
     C             4.48620             1.29655             1.63673
     C             4.94672             2.44422             0.86557
     C             6.41007             3.12367             0.88646
     C             6.91803             1.78037             1.61254
     C             1.43869             0.95468             3.53484
     C             0.82318             1.51412             2.08165
     C             2.04144             1.25763             1.00595
     C             3.22132             0.67901             1.79751
     C             2.81870             0.33094             3.23251
     C             0.54611             4.65169             3.37575
     C             0.51644             5.10607             1.71210
     C             0.48433             3.78914             0.95952
     C            -0.07434             2.67035             2.01407
     C             0.00220             3.07882             3.58875
     C             3.37308             6.27616             2.92141
     C             3.70687             5.88655             1.56082
     C             2.58718             5.76480             0.85919
     C             1.45163             6.18292             1.77007
     C             1.92150             6.61813             3.18716
     C             7.68244             4.32289             1.11717
     C             9.01011             4.85176             0.70411
     C             4.84245             4.70098            -0.11140
     C             4.81776             5.16727             1.24804
     C             5.81090             5.42065             2.27678
     C             4.29762             2.20899             7.54810
     C             3.19717             3.09441             7.59034
     C             3.38329             4.54555             7.25143
     C             4.93632             4.69691             7.26512
     C             5.48781             3.16880             7.41864
     C             3.69196             0.27653             4.38013
     C             3.61778             0.97988             5.60271
     C             4.66534             1.11610             6.64511
     C             6.40751             0.38426             4.82647
     C             5.84520             1.19743             3.57444
     C             0.63162             2.62101             5.06089
     C             1.09071             3.39805             6.23171
     C             2.06888             2.40366             6.82916
     C             2.25838             1.47366             5.91739
     C             1.27392             1.36520             4.95147
     C             1.70468             6.66738             4.65073
     C             2.79954             6.32657             5.74250
     C             2.48171             5.40361             6.61887
     C             1.40077             4.80081             6.02185
     C             0.93487             5.48391             4.80869
     C             5.61694             5.83965             3.58806
     C             6.27729             5.35110             4.82369
     C             5.55279             5.79318             6.15844
     C             4.11464             6.50363             5.56305
     C             4.37641             6.29813             3.90928
     C             5.81093             2.61639             3.23826
     C             6.00705             0.85673             6.12466
     C             6.36372             2.35432             6.33298
     C             1.76268             3.45323             3.33581
     C             3.01356             3.49326             3.17445
     C             7.17332             4.79946             2.48295
     C             4.25304             3.67075             3.27520
     C             9.66730             6.15902             0.17622
     H             9.25119             7.05448             0.15338
     C             7.51649             4.93491             3.97480
     H             5.94004             3.55369             3.98075
     C             8.38039             4.17769             5.14786
     H             9.80711             4.28141             5.21121
     C             7.57813             3.12779             5.70647
     H             8.08209             3.25152             6.78203
           70
 Energy:   -405.0374388092770    
     C             3.82378             2.52360            -0.24633
     C             2.23195             2.24310             0.02276
     C             1.38862             3.58722            -0.01792
     C             2.21617             4.72287            -0.28884
     C             3.52800             4.09557            -0.60017
     C             5.82311             0.85716             2.13367
     C             4.39940             1.26051             1.65106
     C             4.95184             2.42488             0.67896
     C             6.55261             3.11196             0.90300
     C             6.92786             1.68672             1.37732
     C             1.32437             0.90336             3.46063
     C             0.96329             1.53659             2.14068
     C             2.00108             1.38351             1.14367
     C             3.05712             0.82508             1.92980
     C             2.66433             0.49393             3.20884
     C             0.62230             4.69575             3.47082
     C             0.74785             4.94968             1.93260
     C             0.58819             3.69516             1.18635
     C             0.17782             2.83745             2.09640
     C             0.44985             3.06876             3.68804
     C             3.35816             6.27358             2.87230
     C             3.62329             5.71556             1.61478
     C             2.38190             5.76428             0.53908
     C             1.59901             6.17506             1.69731
     C             1.94426             6.75875             3.16101
     C             7.51380             4.09385             1.29717
     C             8.81696             4.94266             0.74707
     C             4.85979             4.87956            -0.17768
     C             4.98255             5.19578             1.24534
     C             5.93548             5.43770             2.29530
     C             4.37070             2.25126             7.37624
     C             3.02371             2.96092             7.42359
     C             3.42797             4.31059             7.19032
     C             4.85719             4.68947             7.22194
     C             5.36323             3.26413             7.19099
     C             3.67421             0.30253             4.21672
     C             3.64519             0.82816             5.69017
     C             4.68942             0.81626             6.83358
     C             6.30499             0.67466             4.77088
     C             5.99864             1.33999             3.70873
     C             0.57085             2.57745             5.01837
     C             1.04560             3.28256             6.26608
     C             1.89873             2.43109             7.00393
     C             2.35273             1.26686             5.96270
     C             1.29733             1.36783             4.86435
     C             1.80843             6.57943             4.76488
     C             2.87516             6.56106             5.97105
     C             2.45027             5.22333             6.71724
     C             1.29261             4.61804             6.03764
     C             1.01738             5.27283             4.81875
     C             5.48337             6.07421             3.59401
     C             6.35333             5.55136             4.86157
     C             5.36151             5.49040             6.01978
     C             4.33621             6.44883             5.34827
     C             4.19523             6.58320             3.99324
     C             5.59751             2.97455             3.08182
     C             6.22514             0.64435             6.19787
     C             6.15645             2.29182             6.44922
     C             1.78382             3.65992             3.43738
     C             3.08840             3.52325             2.80572
     C             7.13586             4.80415             2.53255
     C             4.47982             3.62316             3.32662
     C             9.43535             5.96416             0.26323
     H             9.80428             6.84572            -0.19997
     C             7.47697             4.80677             4.22783
     H             6.39416             3.03291             4.02202
     C             8.58148             4.24415             4.96024
     H             8.74398             4.38648             6.31297
     C             7.51102             3.13315             5.99989
     H             8.28352             2.52195             6.48232
           70
 Energy:   -405.8079706377679    
     C             3.69970             2.73433            -0.28027
     C             2.14892             2.31253             0.10193
     C             1.28119             3.61486             0.10653
     C             2.41926             4.54739            -0.44027
     C             3.76188             4.03727            -0.68326
     C             6.01800             1.04263             2.18990
     C             4.48644             1.22054             1.55437
     C             5.03544             2.33375             0.52784
     C             6.52242             2.88536             0.86847
     C             6.75049             1.48317             1.14207
     C             1.28740             0.88630             3.44163
     C             0.91354             1.50811             2.18638
     C             1.92940             1.49084             1.27028
     C             3.13598             1.01721             1.90084
     C             2.69932             0.49904             3.24423
     C             0.62474             4.73486             3.61827
     C             0.93109             4.96408             2.17162
     C             0.62076             3.90038             1.38510
     C             0.42172             2.63889             2.31871
     C             0.56893             3.22740             3.70621
     C             3.28879             6.43734             2.84685
     C             3.44716             5.62258             1.55699
     C             2.38735             5.94512             0.41901
     C             1.51830             6.05964             1.81721
     C             1.95421             6.87956             3.18456
     C             7.55304             4.00881             1.48017
     C             8.34743             4.82666             0.80602
     C             4.70202             4.91224            -0.27399
     C             5.08864             5.42298             1.27312
     C             5.91592             5.52403             2.49841
     C             4.31445             2.10991             7.31530
     C             3.15521             2.84822             7.41508
     C             3.38492             4.29579             7.28658
     C             4.81831             4.56227             6.90614
     C             5.36334             3.25977             6.98907
     C             3.64420             0.37775             4.26819
     C             3.64426             0.43303             5.65723
     C             4.68115             0.73634             6.77643
     C             6.28507             0.77337             4.77698
     C             6.00035             1.62982             3.39785
     C             0.41350             2.41646             5.05528
     C             0.80437             3.12156             6.19045
     C             1.75668             2.25719             6.95760
     C             2.23936             1.09155             6.08089
     C             1.25978             1.26134             4.77786
     C             1.87800             6.44703             4.71470
     C             2.90506             6.62256             6.06829
     C             2.38285             5.13692             6.71485
     C             1.19515             4.52210             6.10460
     C             1.04835             5.28053             4.90068
     C             5.58721             6.21503             3.61815
     C             6.31584             5.69082             4.72250
     C             5.12177             5.33491             5.86381
     C             4.24685             6.42322             5.43798
     C             4.26802             6.70950             3.80526
     C             5.75132             2.99104             3.37885
     C             6.19164             0.78284             6.40140
     C             6.48612             2.47057             6.49360
     C             2.16172             3.85027             3.29119
     C             3.23565             3.63041             2.69424
     C             7.25147             4.74846             2.79531
     C             4.32692             3.58284             3.14067
     C             9.23542             5.83054             0.30878
     H            10.33569             5.85498            -0.21079
     C             7.43782             4.72654             4.14816
     H             6.64158             3.19129             2.83752
     C             8.14787             3.96885             5.27108
     H             8.89744             5.14675             5.62170
     C             7.61731             3.04610             6.07695
     H             8.40222             2.36409             5.88191
           70
 Energy:   -406.7980162836345    
     C             3.66129             2.71001            -0.15931
     C             2.23814             2.47025             0.21122
     C             1.37324             3.59088             0.22812
     C             2.39760             4.66875            -0.50155
     C             3.77419             4.14825            -0.78567
     C             5.83450             0.92207             2.07147
     C             4.69337             1.19507             1.43902
     C             4.91807             2.17938             0.41072
     C             6.51317             2.84019             0.70223
     C             6.80691             1.27819             0.85301
     C             1.52243             0.67617             3.51524
     C             0.81435             1.28344             2.14649
     C             2.10043             1.48061             1.17587
     C             3.35043             1.07775             1.90440
     C             2.91318             0.49381             3.16639
     C             0.81600             4.79471             3.82946
     C             0.65662             5.13859             2.20043
     C             0.64860             3.81120             1.51155
     C             0.33914             2.86472             2.42459
     C             0.65684             3.17598             3.86693
     C             3.39393             6.58373             2.70326
     C             3.56727             5.83697             1.56303
     C             2.42498             5.89271             0.46522
     C             1.63366             6.27073             1.89054
     C             1.86802             6.93592             3.29120
     C             7.46028             3.84747             1.69801
     C             8.08119             4.86266             0.60938
     C             4.82117             5.05333            -0.13192
     C             4.94376             5.57306             1.19056
     C             6.07475             5.57272             2.42121
     C             4.42643             2.01861             7.26566
     C             2.97480             2.83289             7.47196
     C             3.31683             4.31886             7.34323
     C             4.65459             4.28278             6.63211
     C             5.39408             2.94125             6.86176
     C             3.67087             0.34571             4.33464
     C             3.49573             0.19549             5.85285
     C             4.65078             0.76408             6.57546
     C             6.26991             0.96700             4.79814
     C             6.05231             1.52868             3.66722
     C             0.30804             2.32934             4.83494
     C             0.72109             3.03995             6.33485
     C             1.88675             2.11031             6.86847
     C             2.03326             0.86781             6.01134
     C             1.11304             1.07798             4.93430
     C             1.89844             6.47325             4.75560
     C             2.72079             6.35586             5.92221
     C             2.34093             5.19921             6.76794
     C             1.16694             4.50452             6.15403
     C             0.96157             5.44037             5.01457
     C             5.75816             6.40020             3.59814
     C             6.21361             5.60014             4.76780
     C             5.17783             5.46233             5.60603
     C             4.06305             6.52732             5.38513
     C             4.38173             6.73906             3.82745
     C             5.94189             3.12218             3.66526
     C             6.06004             1.19423             6.29076
     C             6.72177             2.46933             6.65674
     C             2.13134             3.88121             3.36036
     C             3.19591             3.78074             2.52997
     C             7.16019             4.80698             2.77920
     C             4.64721             3.48523             3.05197
     C             9.05542             5.55547             0.33933
     H            10.18743             5.16094             0.19557
     C             7.25172             4.79960             4.31689
     H             6.39186             3.35111             2.69710
     C             7.74082             4.15420             5.49355
     H             9.07008             3.75233             5.14604
     C             8.01147             2.67241             6.04241
     H             8.67185             1.88285             6.14729
           70
 Energy:   -412.0597677188717    
     C             3.76831             2.83467            -0.16933
     C             2.47513             2.48549             0.33128
     C             1.58060             3.74587             0.32036
     C             2.21441             4.90407            -0.33743
     C             3.75766             4.29820            -0.68633
     C             6.01012             0.77562             2.23118
     C             4.61627             1.21995             1.30297
     C             4.93782             2.21205             0.32661
     C             6.35999             2.68206             0.47903
     C             6.81656             1.17419             0.80359
     C             1.59725             0.53797             3.43079
     C             0.92261             1.30880             2.22324
     C             2.22297             1.35950             1.23537
     C             3.40781             0.97736             1.89739
     C             3.21274             0.51742             3.21317
     C             0.84228             4.81525             3.70951
     C             0.44413             5.30988             2.18490
     C             0.65672             3.90952             1.47813
     C             0.26875             2.61505             2.38102
     C             0.70691             3.18372             3.82382
     C             3.46467             6.85741             2.90725
     C             3.70433             6.28259             1.54162
     C             2.46078             5.79995             0.74844
     C             1.55148             6.37660             1.79313
     C             2.10482             6.89358             3.36859
     C             7.28923             3.57419             1.61265
     C             7.79812             4.76510             0.51081
     C             5.01845             5.05541            -0.10729
     C             4.95069             5.63072             1.21675
     C             6.01527             5.86899             2.08696
     C             4.24041             2.07266             7.29330
     C             3.01614             2.67578             7.51153
     C             3.31518             4.21842             7.22186
     C             4.64023             4.21212             6.35198
     C             5.33507             3.08891             6.89308
     C             3.77506             0.14271             4.48877
     C             3.27747             0.20477             5.89747
     C             4.53907             0.77039             6.50692
     C             6.41837             0.93582             4.78289
     C             6.13708             1.52674             3.55486
     C             0.38183             2.23083             5.19353
     C             0.80569             2.91457             6.26823
     C             1.90788             2.04336             6.77150
     C             1.94400             0.72554             6.04338
     C             0.95724             0.79563             4.79787
     C             1.62628             6.73967             4.75466
     C             2.74588             6.11863             5.74343
     C             2.29835             5.20244             6.82489
     C             1.06903             4.54650             6.28633
     C             0.75420             5.51896             5.20675
     C             5.82112             6.49772             3.51343
     C             6.04883             5.71992             4.70821
     C             4.97533             5.52264             5.75156
     C             4.04960             6.47901             5.23752
     C             4.40081             6.85179             3.90875
     C             6.02176             3.00547             3.66058
     C             5.90245             1.31184             6.13116
     C             6.87743             2.27108             6.81435
     C             2.18333             3.81140             3.34783
     C             3.35798             3.87353             2.67521
     C             7.07665             4.77482             2.91316
     C             4.59750             3.52569             2.95613
     C             8.96502             5.25252             0.30535
     H            10.21485             5.47125             0.39204
     C             7.09977             4.76307             4.50207
     H             8.19636             2.99662             2.36238
     C             7.93257             3.94840             5.48091
     H             8.80823             4.70437             5.19471
     C             8.20282             2.48323             6.10929
     H             9.19155             1.93614             6.16079
           70
 Energy:   -410.8515799544663    
     C             3.86824             3.07360            -0.29610
     C             2.51876             2.54170             0.43375
     C             1.67650             3.72883             0.47139
     C             2.38883             5.00250            -0.01510
     C             3.78184             4.47671            -0.45513
     C             6.11582             0.82264             2.17745
     C             4.80496             1.12651             1.36801
     C             4.93995             2.32999             0.26923
     C             6.42191             2.48159             0.49925
     C             6.70342             1.16942             0.96436
     C             1.61791             0.55850             3.34906
     C             1.26030             1.33236             2.20039
     C             2.23412             1.41270             1.30872
     C             3.46541             0.75538             1.89953
     C             3.18285             0.43738             3.41793
     C             0.76875             4.78144             3.63071
     C             0.47191             5.34840             2.20584
     C             0.55045             3.88076             1.47313
     C             0.38874             2.51646             2.29542
     C             0.63403             3.10036             3.77968
     C             3.51114             7.11759             2.93943
     C             3.76155             6.66528             1.55961
     C             2.51873             6.07510             1.12534
     C             1.33132             6.34667             2.01896
     C             2.07749             6.81564             3.18128
     C             7.14151             3.53448             1.50876
     C             7.60354             4.62975             0.55004
     C             5.00167             4.99885            -0.14741
     C             5.03432             5.80425             1.12367
     C             6.20656             5.92357             2.18254
     C             4.32776             2.04930             7.31358
     C             2.99006             2.69389             7.39588
     C             3.26665             4.03428             6.96926
     C             4.57149             4.33789             6.39433
     C             5.52062             3.07585             6.98842
     C             3.82415            -0.13817             4.55186
     C             3.27896             0.28401             5.79215
     C             4.30784             0.88373             6.59248
     C             6.52403             0.80575             4.62064
     C             6.31200             1.55929             3.32718
     C             0.49603             2.19606             5.00660
     C             1.02615             3.01530             6.31533
     C             1.88670             1.98146             6.84603
     C             1.87805             0.72518             6.06199
     C             0.94358             0.61442             4.69915
     C             1.41193             6.81648             4.71855
     C             2.59476             6.20294             5.57900
     C             2.30239             5.03097             6.70530
     C             0.89566             4.51119             6.43750
     C             0.54965             5.44396             5.10252
     C             5.70225             6.58079             3.38452
     C             5.98957             5.78295             4.76568
     C             4.98256             5.55155             5.78769
     C             3.99458             6.32398             5.16365
     C             4.48161             7.04849             3.96283
     C             5.69696             2.77482             3.31486
     C             5.80359             1.09380             6.01372
     C             6.82096             2.20610             6.84804
     C             2.14296             3.84122             3.31061
     C             3.49396             3.88414             3.01091
     C             6.82780             4.60702             2.68774
     C             4.81188             3.59927             2.99426
     C             8.80895             4.91424             0.28066
     H             9.51125             5.81481             0.28342
     C             7.08552             4.53718             4.45064
     H             7.92658             2.73821             0.92417
     C             8.28887             3.66761             5.29855
     H             8.29022             4.52813             5.92424
     C             8.10741             2.65557             6.24012
     H             9.07322             2.00357             6.36429
           70
 Energy:   -411.7206309751234    
     C             3.70205             3.03558            -0.18090
     C             2.55325             2.68260             0.37995
     C             1.61925             3.82942             0.66160
     C             2.68378             5.07598             0.54108
     C             3.75270             4.56309            -0.29981
     C             6.06109             0.70637             2.06163
     C             4.73179             1.10932             1.44165
     C             4.90220             2.33488             0.30671
     C             6.32657             2.38429             0.55456
     C             7.03365             1.11559             0.93368
     C             1.68705             0.60419             3.45157
     C             1.30684             1.41416             2.20557
     C             2.58576             1.50596             1.22399
     C             3.53200             0.64202             1.97031
     C             3.03677             0.19762             3.33639
     C             0.56860             4.60614             3.74085
     C             0.42722             5.04084             2.27002
     C             0.50980             3.75145             1.48287
     C             0.58853             2.63536             2.28237
     C             0.64311             3.08434             3.63176
     C             3.39997             7.39879             2.87969
     C             3.96479             6.82034             1.55372
     C             2.44895             6.36391             1.18230
     C             1.29538             6.33378             2.09018
     C             1.88848             7.00429             3.31942
     C             7.10016             3.42104             1.37328
     C             7.49697             4.62795             0.48911
     C             4.99286             5.27635             0.00966
     C             5.21810             6.15693             1.08119
     C             6.22263             5.74621             2.33433
     C             4.38246             2.19521             7.44414
     C             3.12391             2.72021             7.27493
     C             3.17277             4.05183             6.69192
     C             4.70922             4.24940             6.74946
     C             5.51745             3.06577             7.06929
     C             3.66890            -0.34057             4.51390
     C             3.32673             0.30651             5.77334
     C             4.47568             0.90548             6.52234
     C             6.42688             0.82182             4.57869
     C             6.52383             1.37968             3.34826
     C             0.66845             2.26023             4.79246
     C             0.88824             3.01153             6.16617
     C             1.84806             1.98075             6.96516
     C             1.92562             0.77266             5.95476
     C             1.03013             0.77251             4.72657
     C             1.37148             6.60087             4.57576
     C             2.35507             6.24898             5.61965
     C             2.18037             5.03858             6.34392
     C             0.81992             4.50172             6.30247
     C             0.44045             5.34586             4.95602
     C             5.80171             6.58767             3.54621
     C             6.31131             5.54812             4.69413
     C             5.08094             5.53416             5.67054
     C             3.83548             6.39769             5.10690
     C             4.33917             7.20010             3.97612
     C             5.54687             2.59940             3.07500
     C             5.91829             0.85373             5.86320
     C             6.56923             2.15810             6.59865
     C             2.10663             3.87371             3.37589
     C             3.35442             3.88950             3.41541
     C             6.63880             4.37423             2.70593
     C             4.76161             3.82790             2.96352
     C             8.62190             4.78215             0.21640
     H             9.23954             5.47099            -0.02726
     C             7.09947             4.32821             4.00464
     H             7.68329             3.49278             2.40131
     C             8.16695             3.80209             5.04256
     H             8.53289             4.24633             5.92494
     C             7.96155             2.64080             6.36341
     H             8.71832             1.98133             6.99882
           70
 Energy:   -406.2695702115932    
     C             3.84046             3.13193            -0.07624
     C             2.39701             2.68513             0.40622
     C             1.79367             4.00109             0.68177
     C             2.66155             4.99819             0.90392
     C             3.92069             4.56839             0.00218
     C             6.14874             0.60321             1.81770
     C             4.85465             1.11529             1.44957
     C             4.82109             2.17777             0.45722
     C             6.39114             2.27829             0.65425
     C             7.24160             0.98397             0.88206
     C             1.65036             0.65133             3.42761
     C             1.45848             1.44867             2.11990
     C             2.53924             1.53455             1.33922
     C             3.59327             0.66010             2.02862
     C             2.96573            -0.12749             3.10258
     C             0.32396             4.48993             3.76089
     C             0.41846             4.90719             2.30213
     C             0.59598             3.81454             1.44717
     C             0.62144             2.56107             2.21812
     C             0.69139             2.95519             3.68602
     C             3.19634             7.58504             2.95058
     C             4.00913             7.05152             1.56522
     C             2.52072             6.45123             1.14307
     C             1.26552             6.27529             2.10338
     C             1.75528             7.25618             3.38505
     C             6.97017             3.36746             1.35115
     C             7.35995             4.52519             0.42991
     C             5.00748             5.57095             0.09682
     C             5.41843             6.45352             1.29431
     C             5.87897             5.70901             2.31996
     C             4.39520             2.00743             7.39131
     C             3.03102             2.76692             7.19075
     C             3.22535             4.23418             6.57273
     C             4.90871             4.47624             6.77391
     C             5.43974             3.03001             7.17070
     C             3.42328            -0.44244             4.47158
     C             3.40862             0.27005             5.75187
     C             4.73058             0.91083             6.48910
     C             6.34522             0.65798             4.60999
     C             6.41132             1.29559             3.17098
     C             0.66278             2.31365             4.84719
     C             0.69277             2.84408             6.03513
     C             1.74405             2.10618             6.82813
     C             2.10096             0.83974             5.96359
     C             1.30880             1.15345             4.78869
     C             1.30258             6.35297             4.58244
     C             2.49156             6.27645             5.56525
     C             2.11714             4.95551             6.13011
     C             0.75519             4.43409             5.90497
     C             0.37857             5.34774             4.91936
     C             5.86642             6.48246             3.84564
     C             6.46935             5.30777             4.63629
     C             5.07509             5.35202             5.58628
     C             3.82072             6.45563             5.25676
     C             4.31995             7.18228             3.90357
     C             5.47319             2.62715             2.88601
     C             6.05451             0.91883             5.95217
     C             6.38317             2.22378             6.26939
     C             1.96785             3.98834             3.58003
     C             3.38542             3.94737             3.67570
     C             6.47251             4.29428             2.44654
     C             4.53929             3.74480             3.09928
     C             8.60778             4.87592             0.01125
     H             9.60813             4.96176            -0.42155
     C             7.19997             4.24501             4.09554
     H             7.97398             2.84577             2.32976
     C             7.82665             3.63029             5.17344
     H             8.80357             4.16630             4.88589
     C             7.72520             2.79112             6.07256
     H             8.57674             2.94779             6.69969
           70
 Energy:   -406.5780698289676    
     C             3.99129             3.09413             0.13298
     C             2.60595             2.66784             0.39106
     C             1.82496             3.84554             0.67784
     C             2.85692             5.03033             0.79346
     C             4.16632             4.70815             0.48698
     C             6.31265             0.43342             1.84182
     C             4.89736             0.92644             1.43197
     C             4.93850             2.13230             0.52330
     C             6.31527             2.12945             0.52825
     C             7.35821             0.84149             0.70516
     C             1.67544             0.63948             3.31023
     C             1.29586             1.39208             2.22520
     C             2.54894             1.53888             1.33648
     C             3.62250             0.73652             1.90153
     C             2.87542            -0.27826             3.08255
     C             0.12018             4.47774             3.57715
     C             0.46439             5.15201             2.27726
     C             0.72412             3.86702             1.48855
     C             0.52100             2.53817             2.13425
     C             0.63213             3.04102             3.57412
     C             3.14001             7.63982             3.06255
     C             3.85823             7.39960             1.64290
     C             2.64148             6.39047             1.31457
     C             1.25609             6.30452             2.18872
     C             1.59322             7.18693             3.22896
     C             7.01277             3.48193             1.45804
     C             7.56047             4.43235             0.31066
     C             5.04185             5.82063             0.17941
     C             5.17235             6.60862             1.33586
     C             5.75240             5.70133             2.61123
     C             4.23346             1.96335             7.23157
     C             2.95229             2.88219             7.09292
     C             3.42766             4.20271             6.75717
     C             4.82839             4.50500             6.61261
     C             5.39602             3.07655             7.13021
     C             3.33150            -0.54450             4.43142
     C             3.57331             0.22638             5.71369
     C             4.56925             0.67634             6.46435
     C             6.29243             0.48724             4.43049
     C             5.99618             1.30428             3.07660
     C             0.45365             2.07154             4.89182
     C             0.61942             3.00623             6.16323
     C             1.79548             2.21041             6.66666
     C             2.26758             1.00503             6.04721
     C             1.68508             1.15970             4.66650
     C             1.35979             6.50683             4.68529
     C             2.55201             6.15962             5.44119
     C             2.23777             4.84675             6.11399
     C             0.84158             4.27521             5.78570
     C             0.24531             5.38459             4.79466
     C             5.69509             6.28714             3.76187
     C             6.18184             5.31685             4.75980
     C             5.11150             5.35555             5.52026
     C             4.19510             6.40131             5.27868
     C             4.39101             7.05097             4.04538
     C             5.49924             2.60751             2.86549
     C             6.09363             1.04611             5.88330
     C             6.26578             2.45945             6.26427
     C             1.91803             4.12069             3.84983
     C             3.21436             4.06905             3.82076
     C             6.47072             4.43232             2.63627
     C             4.42836             3.37470             3.25849
     C             8.42866             4.97158            -0.21166
     H             9.35815             4.37653            -0.48078
     C             6.83804             4.24078             3.80150
     H             8.31607             3.15144             1.12843
     C             7.94141             3.66073             4.82190
     H             9.03508             3.24625             4.79673
     C             7.64891             2.87641             6.06485
     H             8.04332             2.56261             7.04215
           70
 Energy:   -408.5680482059248    
     C             4.25629             3.12507             0.45693
     C             2.88482             2.65536             0.48699
     C             2.04293             3.85771             0.62612
     C             2.89052             5.14120             0.65377
     C             4.45140             4.56716             0.62360
     C             6.40990             0.27104             1.84381
     C             4.88149             0.77640             1.36067
     C             5.13366             2.02176             0.57592
     C             6.64723             2.32359             0.53236
     C             7.29875             0.80486             0.58955
     C             1.76584             0.54394             3.31771
     C             1.19317             1.40796             2.02831
     C             2.49750             1.50389             1.28344
     C             3.46965             0.52577             1.90759
     C             2.97316            -0.17273             3.05571
     C             0.11191             4.68868             3.44378
     C             0.51770             5.27932             2.09069
     C             0.78189             3.91319             1.52339
     C             0.38990             2.63743             2.23609
     C             0.40423             3.04278             3.67698
     C             3.22765             7.57593             3.27127
     C             3.62247             7.53485             1.77668
     C             2.58192             6.23555             1.52241
     C             1.39838             6.38240             2.08840
     C             1.70136             7.09720             3.38059
     C             7.12500             3.40631             1.33869
     C             7.53346             4.47105             0.18963
     C             5.06891             5.90956             0.31869
     C             4.87954             6.74048             1.56546
     C             5.68082             5.78706             2.25791
     C             4.15257             2.08083             7.13178
     C             3.06201             2.86879             7.15785
     C             3.27367             4.23628             6.92503
     C             4.66426             4.25337             6.56492
     C             5.13357             3.13266             7.00088
     C             3.42925            -0.64623             4.43033
     C             3.44313             0.08872             5.63036
     C             4.69820             0.66527             6.47564
     C             6.21542             0.59869             4.26144
     C             5.70642             1.13639             3.11879
     C             0.42323             1.98452             4.79578
     C             0.63450             2.89310             6.10705
     C             1.93657             2.29484             6.66402
     C             2.42800             1.07131             5.78807
     C             1.62560             1.08577             4.59993
     C             1.35461             6.71029             4.61965
     C             2.75268             5.98936             5.40014
     C             2.43176             4.85175             6.14209
     C             1.04555             4.52793             5.83917
     C             0.36724             5.40639             4.81584
     C             5.47947             6.23853             3.73568
     C             6.07791             5.32350             4.70711
     C             5.07902             5.39246             5.88548
     C             4.02793             6.31897             5.33614
     C             4.40517             7.11779             4.07670
     C             5.42837             2.55591             2.98773
     C             5.78648             1.08322             5.70197
     C             6.26575             2.43690             6.19770
     C             1.67564             4.20594             4.04662
     C             3.17459             4.04204             3.83295
     C             6.41529             4.54084             2.39637
     C             4.20752             3.12478             3.49586
     C             8.42717             5.03907            -0.55125
     H             9.64792             4.93789            -1.03884
     C             6.73429             4.21159             4.14912
     H             7.39356             3.07113             2.60694
     C             8.03682             3.57628             4.39357
     H             9.17633             2.96261             4.34935
     C             7.77014             3.14390             6.05893
     H             8.64059             2.59228             6.53754
           70
 Energy:   -410.4280115620217    
     C             4.58346             3.03045             0.77018
     C             3.00450             2.73845             0.75306
     C             2.14649             3.93854             0.66657
     C             3.01958             5.04861             0.62182
     C             4.48805             4.50317             0.45131
     C             6.29113             0.29119             1.66860
     C             4.74030             0.56532             1.18440
     C             5.49186             1.94554             0.67206
     C             6.94499             2.18499             0.44887
     C             7.10683             0.88252             0.67835
     C             1.62226             0.59965             3.19507
     C             1.17894             1.42247             1.96302
     C             2.44721             1.40864             1.19812
     C             3.52646             0.36786             1.71013
     C             3.15087            -0.05691             3.15249
     C             0.21472             4.84490             3.52739
     C             0.49804             5.27663             1.92384
     C             0.93913             3.91454             1.35123
     C             0.45673             2.74492             2.25501
     C             0.19986             3.26160             3.80786
     C             3.25498             7.54441             3.34574
     C             3.39395             7.32738             1.97208
     C             2.72118             6.26055             1.33705
     C             1.37733             6.45161             2.21091
     C             1.94040             7.16588             3.47021
     C             7.24879             3.62064             1.37883
     C             7.68129             4.54038             0.10331
     C             5.00783             5.89469             0.39632
     C             4.68696             6.99350             1.48729
     C             5.70291             5.87622             2.33697
     C             4.29096             1.89515             7.18018
     C             2.91360             2.79608             7.43873
     C             3.14036             4.22270             7.04862
     C             4.53017             4.32682             6.70071
     C             5.33799             2.89263             6.71152
     C             3.60163            -0.73818             4.29278
     C             3.49458             0.07079             5.71911
     C             4.49805             0.77236             6.38192
     C             6.10481             0.68051             4.37425
     C             5.75627             1.00228             3.02633
     C             0.50914             2.17097             4.77578
     C             0.87703             2.93976             5.91795
     C             1.92870             2.10325             6.49239
     C             2.35387             1.12628             5.49877
     C             1.22858             1.02522             4.53649
     C             1.52600             6.48645             4.77770
     C             2.54708             6.05050             5.37207
     C             2.26732             5.02025             6.13644
     C             0.92810             4.46056             6.05807
     C             0.59485             5.56989             4.95111
     C             5.43914             6.18869             3.61686
     C             5.87081             5.30377             4.76090
     C             5.11326             5.47949             6.00261
     C             3.94428             6.44420             5.35531
     C             4.28004             7.15332             4.24370
     C             5.08381             2.38560             3.20551
     C             5.65670             1.19715             5.56957
     C             6.60361             2.49297             6.10426
     C             1.62483             4.03335             3.87451
     C             2.88744             3.85885             3.83777
     C             6.47490             4.56767             2.53055
     C             4.00552             3.06460             3.70276
     C             8.38407             4.97083            -0.81686
     H             8.74780             6.01678            -1.42310
     C             6.79426             4.30839             3.83057
     H             7.11748             2.60264             2.29174
     C             7.86869             3.40494             4.42973
     H             8.54100             3.42957             3.30087
     C             7.76811             3.24620             5.67845
     H             8.77359             3.33724             6.16715
           70
 Energy:   -408.2901423494475    
     C             4.57891             3.08473             0.88983
     C             3.14733             2.69033             1.04141
     C             2.33185             3.86024             0.76472
     C             3.16050             5.00881             0.62878
     C             4.48955             4.55548             0.31584
     C             6.05402             0.30394             1.65219
     C             4.81341             0.41494             0.92101
     C             5.48400             2.02943             0.75372
     C             7.11261             2.37128             0.39434
     C             7.35188             0.61270             0.85673
     C             1.54920             0.61516             3.12135
     C             1.23174             1.53251             2.08147
     C             2.52561             1.39347             1.11248
     C             3.39783             0.38010             1.55658
     C             3.07446             0.06987             3.05182
     C             0.25823             5.04469             3.62505
     C             0.48939             5.20948             2.05100
     C             0.92737             3.99129             1.31833
     C             0.68031             2.84044             2.13017
     C            -0.04401             3.37772             3.53599
     C             3.26379             7.63388             3.38632
     C             3.56609             7.13966             1.97844
     C             2.55259             6.26201             1.06735
     C             1.45278             6.43572             2.24779
     C             1.81518             7.16542             3.50503
     C             7.22881             3.79149             1.23712
     C             7.90809             4.48308             0.08267
     C             4.97519             5.90229             0.45468
     C             4.90084             6.98042             1.35318
     C             5.69714             5.95222             2.28686
     C             4.26093             1.94898             7.35897
     C             2.88989             2.56128             7.53561
     C             3.08635             4.10725             7.11892
     C             4.70216             4.39823             6.85300
     C             5.39827             3.05623             6.64132
     C             3.76484            -0.62743             4.36668
     C             3.36960             0.15222             5.47669
     C             4.41960             0.85895             6.22679
     C             6.09030             0.53068             4.28316
     C             5.86464             1.06485             2.89966
     C             0.34271             2.49253             4.78206
     C             1.13788             2.99374             5.87747
     C             1.98294             2.01343             6.41458
     C             2.14849             0.88380             5.41364
     C             1.01479             0.96069             4.36845
     C             1.60666             6.53211             4.71166
     C             2.72204             6.14164             5.74592
     C             2.10135             4.94438             6.53524
     C             0.67399             4.33771             6.07759
     C             0.48072             5.48536             5.01480
     C             5.32157             6.35482             3.84102
     C             5.85907             5.17294             4.68709
     C             4.90104             5.55046             5.92767
     C             4.03086             6.55115             5.60667
     C             4.33210             7.12955             4.24707
     C             4.67438             2.04202             3.33505
     C             5.75173             1.30468             5.67512
     C             6.82904             2.43206             6.04729
     C             1.50803             3.93750             3.65207
     C             2.75931             3.55537             3.87649
     C             6.55576             4.75201             2.24365
     C             3.87755             3.06735             3.83243
     C             8.25816             5.02241            -0.99130
     H             7.89715             5.79226            -1.60853
     C             6.73399             4.48614             3.79661
     H             7.87835             2.90183             2.04313
     C             7.60324             3.49061             4.03558
     H             8.94917             3.35291             3.80752
     C             7.85494             3.15647             5.55247
     H             8.12148             3.92944             6.28035
           70
 Energy:   -409.4139028644704    
     C             4.53307             3.17706             0.80809
     C             3.23211             2.72121             1.11645
     C             2.35139             3.82552             0.96955
     C             3.02645             5.02655             0.54719
     C             4.56104             4.52936             0.34197
     C             6.10873             0.33479             1.72771
     C             4.74251             0.52815             0.66536
     C             5.50968             1.95515             0.70200
     C             7.05728             2.10203             0.67674
     C             7.39436             0.89750             0.97744
     C             1.55005             0.62651             3.09507
     C             1.46455             1.65411             1.98640
     C             2.50738             1.53623             1.20489
     C             3.45223             0.34241             1.47277
     C             2.94603            -0.01069             2.85751
     C             0.09966             4.92502             3.62697
     C             0.65715             5.27862             2.19414
     C             1.04816             4.09003             1.39577
     C             0.66686             2.80549             2.01706
     C            -0.21264             3.37800             3.25075
     C             3.28280             7.56941             3.28664
     C             3.76604             7.14796             1.75858
     C             2.48617             6.32961             1.08673
     C             1.48603             6.32097             2.08829
     C             1.84827             7.12399             3.38899
     C             7.30515             3.78398             1.09364
     C             8.23441             4.44013            -0.00154
     C             5.11131             5.89112             0.21691
     C             5.13792             6.78505             1.43593
     C             5.77732             6.18589             2.45832
     C             4.40045             2.12793             7.28086
     C             2.97318             2.45196             7.33750
     C             3.21534             3.92975             7.30804
     C             4.65731             4.42404             6.86439
     C             5.37147             3.11164             6.89555
     C             3.71784            -0.32386             4.11123
     C             3.32354             0.35550             5.35623
     C             4.47332             1.03087             6.17737
     C             6.13750             0.47843             4.37898
     C             5.78859             1.15654             2.94498
     C             0.28780             2.43783             4.55547
     C             1.03805             2.96688             5.79927
     C             2.07393             1.93025             6.40382
     C             1.81792             0.66138             5.54117
     C             0.93302             1.13190             4.41202
     C             1.61070             6.44478             4.98207
     C             2.47684             6.24042             6.16934
     C             2.03150             4.91301             6.96347
     C             0.80466             4.54653             6.11955
     C             0.40166             5.47061             5.08825
     C             5.48226             6.31091             3.69607
     C             5.72468             5.25798             4.65295
     C             5.00447             5.35622             5.84424
     C             4.02785             6.69460             5.80231
     C             4.17204             7.25002             4.45727
     C             4.47290             1.66517             3.35373
     C             5.96091             1.08709             5.49935
     C             6.54475             2.30118             6.13733
     C             1.40297             3.92593             3.50803
     C             2.54106             3.36338             3.91280
     C             6.54173             5.02519             2.03262
     C             3.96567             2.85124             3.88177
     C             7.99693             5.13756            -1.13461
     H             7.66997             5.36710            -2.06671
     C             6.66241             4.55386             3.58092
     H             8.29959             3.93017             1.70221
     C             7.71218             3.58447             3.88633
     H             8.59195             2.87347             3.23097
     C             7.87426             3.17759             5.44284
     H             8.29702             4.24659             5.46567
           70
 Energy:   -405.7543921085561    
     C             4.66848             3.04988             0.61706
     C             3.20047             2.89142             0.96356
     C             2.38004             4.01771             1.06182
     C             3.00457             5.08318             0.48385
     C             4.43733             4.66093             0.38412
     C             6.09312             0.45906             1.64093
     C             4.85349             0.60713             0.80397
     C             5.46750             2.04479             0.55139
     C             6.73083             2.44571             0.98136
     C             7.42236             0.85754             1.29097
     C             1.53566             0.75692             3.09836
     C             1.37800             1.62640             2.03938
     C             2.78498             1.59868             1.28328
     C             3.50333             0.37659             1.34252
     C             2.72805            -0.16407             2.65834
     C            -0.13288             4.77397             3.70520
     C             0.72707             5.14763             2.26744
     C             1.06389             4.00376             1.63169
     C             0.41427             2.72426             1.87200
     C            -0.23168             3.18762             3.19138
     C             3.31395             7.38900             3.10701
     C             3.77346             7.23942             1.65860
     C             2.78893             6.39762             1.19283
     C             1.54435             6.43738             2.10421
     C             1.93218             6.77506             3.67459
     C             7.42133             3.81383             1.08295
     C             8.34586             4.50600            -0.26367
     C             5.35680             5.87686             0.04022
     C             5.07188             6.57985             1.28949
     C             6.08152             6.32377             2.42963
     C             4.42472             1.97163             7.00597
     C             3.12136             2.55898             7.14454
     C             3.19894             4.02908             7.46504
     C             4.56186             4.26209             6.86529
     C             5.55602             3.08095             7.13314
     C             3.56597             0.02501             3.81324
     C             3.38907             0.53673             5.37377
     C             4.60999             1.06436             6.03408
     C             6.32174             0.41641             4.17419
     C             5.62616             0.91480             3.17804
     C             0.34331             2.34795             4.41600
     C             0.76538             3.08103             5.70518
     C             1.83692             1.95829             6.38264
     C             1.68392             0.64674             5.69049
     C             1.00097             1.03680             4.34089
     C             1.49342             6.52197             4.93512
     C             2.36015             6.33272             6.44833
     C             2.13891             4.96815             7.23786
     C             1.06155             4.45873             6.19501
     C             0.52159             5.50076             5.06488
     C             5.26686             6.55974             3.92168
     C             5.77471             5.20563             4.47532
     C             4.94560             5.32782             5.90005
     C             3.84152             6.51199             5.96314
     C             4.26835             7.19848             4.40517
     C             4.35857             1.48353             3.34300
     C             5.94007             0.96627             5.65011
     C             6.43647             2.54732             6.09688
     C             1.37934             3.81168             3.57162
     C             2.54745             3.18642             3.88485
     C             6.67112             4.89683             1.99853
     C             3.70428             2.57514             3.87366
     C             7.83880             5.12687            -1.16964
     H             7.70893             5.10833            -2.19237
     C             6.63676             4.55511             3.37931
     H             8.38956             4.25136             1.46119
     C             7.77586             3.60074             3.81188
     H             7.68070             3.16241             2.68067
     C             7.46330             3.09220             5.40709
     H             8.44634             3.58472             5.80355
           70
 Energy:   -407.7199858368808    
     C             4.41398             3.38499             0.28586
     C             3.19323             2.92636             0.80673
     C             2.34510             4.08413             0.99797
     C             3.15581             5.29341             0.61618
     C             4.43693             4.78911             0.18035
     C             6.00406             0.56226             1.87687
     C             4.92913             0.69065             0.90501
     C             5.44480             2.10499             0.46026
     C             6.82911             2.48088             1.23848
     C             7.43548             1.22333             1.52546
     C             1.54063             0.64416             3.01213
     C             1.32628             1.65178             1.86975
     C             2.69039             1.77597             1.38846
     C             3.57032             0.42588             1.27509
     C             2.50905            -0.25376             2.41165
     C             0.01356             4.67967             3.73669
     C             0.60323             5.11527             2.41135
     C             1.10302             3.90946             1.61895
     C             0.33527             2.64179             1.82931
     C            -0.17541             3.01667             3.33751
     C             3.38490             7.25148             3.20674
     C             3.92611             7.18928             1.74926
     C             2.71124             6.41955             1.22263
     C             1.66846             6.38852             2.31470
     C             2.11740             6.64669             3.71126
     C             7.70561             4.00011             0.99016
     C             8.15065             4.44594            -0.28358
     C             5.46714             5.70312             0.03815
     C             5.17684             6.69970             1.25625
     C             6.05889             6.36833             2.35598
     C             4.33799             1.99377             6.89897
     C             3.01594             2.66118             6.95582
     C             3.21657             4.13513             7.50170
     C             4.65314             4.14336             6.92140
     C             5.55251             2.98846             7.21307
     C             3.42567             0.36384             3.84859
     C             3.28229             0.51312             5.23900
     C             4.54311             0.84193             5.84855
     C             6.57533             0.39882             4.44575
     C             5.59131             0.58854             3.06692
     C             0.25497             2.11218             4.60852
     C             0.73271             3.02548             5.72596
     C             1.60444             2.24035             6.50190
     C             1.96409             0.78339             5.59065
     C             1.05258             0.90548             4.38657
     C             1.51862             6.49767             5.25251
     C             2.36284             6.41870             6.26555
     C             2.12208             5.08962             7.18843
     C             1.09099             4.39933             6.08803
     C             0.68897             5.29663             5.13822
     C             5.61415             6.55996             3.81773
     C             5.69645             5.22885             4.53625
     C             4.83705             5.28559             5.76718
     C             3.73755             6.37663             5.75993
     C             4.00769             7.10773             4.50818
     C             4.27569             1.27746             3.39986
     C             6.11893             1.06293             5.57796
     C             6.30714             2.45481             6.03894
     C             1.33113             3.78384             3.75892
     C             2.41685             3.20550             3.80334
     C             6.76801             4.86735             1.99351
     C             3.42266             2.34729             3.80366
     C             7.75704             5.08377            -1.32859
     H             7.45333             5.42989            -2.44648
     C             6.65156             4.50713             3.56241
     H             8.50360             3.30766             1.29177
     C             7.51548             3.51953             3.92040
     H             8.16071             2.74306             3.51002
     C             7.37724             3.19137             5.11034
     H             8.08909             2.65581             5.86410
           70
 Energy:   -409.4778610986914    
     C             4.40710             3.34508            -0.02972
     C             3.03327             2.99566             0.68759
     C             2.28808             4.16381             0.85474
     C             3.15147             5.27411             0.71856
     C             4.40671             4.88132            -0.12765
     C             6.27370             0.53629             1.87587
     C             4.94874             0.92898             0.85152
     C             5.43375             2.46333             0.47616
     C             6.81641             2.71116             1.11403
     C             7.29779             1.46472             1.86243
     C             1.27821             0.57837             2.88843
     C             1.30047             1.52277             1.83917
     C             2.62124             1.78311             1.28086
     C             3.50351             0.60399             1.31309
     C             2.72380            -0.29395             2.38373
     C            -0.03265             4.69876             3.86235
     C             0.71463             5.17020             2.35924
     C             1.00548             4.08526             1.53843
     C             0.45411             2.70065             2.01492
     C            -0.11420             2.98615             3.54236
     C             3.53644             7.20464             3.32209
     C             3.96870             7.11192             1.89561
     C             2.57704             6.62560             1.44353
     C             1.61908             6.05826             2.52689
     C             2.12552             6.72824             3.78244
     C             7.81515             3.89923             1.22089
     C             7.84092             4.52946            -0.42247
     C             5.49632             5.80298             0.23382
     C             5.42757             6.84467             1.20890
     C             6.07552             6.21728             2.37857
     C             4.18592             1.98696             6.78193
     C             2.85236             2.82628             6.96388
     C             3.23589             4.15774             7.38043
     C             4.74416             4.33759             6.91704
     C             5.38719             2.81881             7.04989
     C             3.02175             0.15943             3.67508
     C             3.23991             0.31628             5.19090
     C             4.46963             0.80400             5.90053
     C             6.63200             0.43980             4.46301
     C             5.72421             0.35655             3.55425
     C             0.08869             1.98648             4.81224
     C             0.75022             2.91485             5.86176
     C             1.81150             2.04613             6.49678
     C             2.10387             1.19430             5.59234
     C             1.09197             0.91856             4.50728
     C             1.42987             6.41944             5.01025
     C             2.65040             6.31578             6.27711
     C             2.06473             5.12033             6.90236
     C             1.01985             4.30051             6.12951
     C             0.67948             5.24470             5.01284
     C             5.68002             6.55350             3.70289
     C             5.70316             5.31526             4.59092
     C             4.68873             5.09351             5.74203
     C             3.86547             6.19523             5.54132
     C             4.31181             6.96558             4.44903
     C             4.48329             1.14348             3.34022
     C             5.99543             1.10271             5.54759
     C             6.36285             2.39448             6.03567
     C             1.29419             3.71238             3.90957
     C             2.43757             3.23730             3.76496
     C             6.90263             5.03320             2.19592
     C             3.34956             2.27414             3.65309
     C             7.74453             4.99439            -1.54480
     H             7.24265             5.88506            -2.15526
     C             6.55343             4.61228             3.53993
     H             8.98245             3.80736             1.54057
     C             7.35738             3.33200             3.83523
     H             8.22165             3.52399             3.12361
     C             7.35797             3.10201             5.44352
     H             8.25684             2.27417             5.53022
           70
 Energy:   -412.1672161523013    
     C             4.33400             3.28484            -0.15812
     C             2.98209             2.97546             0.41736
     C             2.15954             4.20899             0.76622
     C             3.00468             5.42112             0.62345
     C             4.33285             4.98906            -0.16696
     C             6.19444             0.42779             2.01297
     C             5.13830             1.17678             1.08671
     C             5.52494             2.66903             0.55154
     C             6.81035             2.90322             0.97623
     C             7.12331             1.80296             2.01363
     C             0.96406             0.44358             2.95533
     C             1.24528             1.60440             1.87887
     C             2.52749             1.73228             1.00303
     C             3.52422             0.76047             1.37733
     C             2.97680            -0.24201             2.16363
     C            -0.13388             4.58775             3.64789
     C             0.63754             5.05658             2.53978
     C             0.88152             4.06794             1.46304
     C             0.68501             2.88138             2.22933
     C            -0.19521             3.00589             3.69874
     C             3.50712             7.23145             3.49888
     C             4.00877             7.14911             1.98720
     C             2.65405             6.41729             1.56783
     C             1.72448             6.12804             2.62646
     C             2.11766             6.87432             3.69412
     C             7.69624             4.19532             1.21741
     C             7.56039             4.48369            -0.29314
     C             5.42079             5.92646             0.18864
     C             5.43618             6.83381             1.37342
     C             6.26360             6.31720             2.35178
     C             4.01297             1.98055             6.74175
     C             2.99497             2.73565             7.19051
     C             3.20174             4.19741             7.16119
     C             4.65506             4.30030             7.02394
     C             5.11017             2.92552             6.74027
     C             3.03144            -0.14638             3.69510
     C             3.34898             0.24877             5.23789
     C             4.41483             0.83545             5.93309
     C             6.64908             0.49572             4.70055
     C             5.82050             0.13948             3.25845
     C             0.04860             2.11134             4.90741
     C             0.69115             2.78227             6.16890
     C             1.87818             2.15022             6.49685
     C             2.18919             0.98676             5.33548
     C             1.03873             1.00794             4.46512
     C             1.68711             6.33122             4.93614
     C             2.57167             6.18853             5.94698
     C             2.21247             4.90938             6.70088
     C             0.92919             4.31424             6.14449
     C             0.55217             5.26763             5.02534
     C             5.79860             6.37016             3.66253
     C             5.86659             5.24375             4.57627
     C             4.90180             4.93766             5.67817
     C             4.02759             6.16911             5.47551
     C             4.66601             7.00452             4.32812
     C             4.51702             1.04168             3.45332
     C             5.78768             0.99984             5.68943
     C             6.32219             2.34804             6.25396
     C             1.31329             3.65926             4.03037
     C             2.65438             3.14980             3.74937
     C             7.13089             5.08584             2.28686
     C             3.52008             2.06746             3.43827
     C             7.66791             4.93871            -1.61314
     H             7.43747             5.89812            -2.26385
     C             6.52599             4.43046             3.58196
     H             8.87049             4.75370             1.65255
     C             7.29175             3.28656             4.03340
     H             7.89543             3.30220             2.95890
     C             7.58224             2.86878             5.51442
     H             8.73871             3.20508             5.55785
           70
 Energy:   -413.4543129816752    
     C             4.26395             3.60349            -0.07259
     C             2.81852             2.97141             0.14802
     C             2.04458             4.12081             0.57225
     C             2.81899             5.34513             0.36650
     C             4.21911             4.96771             0.00105
     C             6.27663             0.67245             1.89985
     C             5.11295             1.43357             1.35863
     C             5.44113             2.60412             0.54637
     C             6.90878             3.07729             1.07843
     C             6.94169             2.00953             1.97131
     C             0.75470             0.60110             3.08846
     C             1.29378             1.65747             1.96092
     C             2.38678             1.70781             0.84193
     C             3.71593             0.96977             1.31030
     C             3.33043            -0.23185             2.23290
     C            -0.00324             4.55058             3.79147
     C             0.74855             5.22128             2.42710
     C             0.94554             4.06784             1.58159
     C             0.72873             2.86580             2.41341
     C            -0.21799             2.97220             3.71892
     C             3.55476             7.45307             3.47401
     C             3.94898             7.16605             2.07466
     C             2.94451             6.16680             1.61734
     C             1.65886             6.21759             2.44267
     C             2.17216             6.94978             3.72776
     C             7.58985             4.55693             1.11216
     C             7.30805             4.50538            -0.34462
     C             5.20126             6.03535             0.06912
     C             5.22798             6.69484             1.51934
     C             6.56675             6.47541             2.35564
     C             4.12147             1.97710             6.81884
     C             2.84508             2.54091             7.33978
     C             3.17772             3.97504             7.21374
     C             4.57049             4.25923             6.87379
     C             5.14644             2.96047             6.57623
     C             3.09202            -0.60623             3.73929
     C             3.48581             0.16275             4.99531
     C             4.38306             0.82954             5.99910
     C             6.40947             0.34702             4.65753
     C             5.76246             0.10892             3.38505
     C             0.18072             2.19918             5.01539
     C             0.54698             2.87787             6.28058
     C             1.87458             2.04037             6.41892
     C             2.00085             0.89670             5.32234
     C             0.86048             1.05507             4.36339
     C             1.56540             6.26703             4.77568
     C             2.80026             5.84447             5.72268
     C             2.21415             4.85103             6.47179
     C             0.80333             4.35799             6.11419
     C             0.46745             5.25304             5.00604
     C             5.98211             6.29858             3.77976
     C             6.05860             5.00612             4.56201
     C             5.19050             5.07081             5.76951
     C             4.16132             6.27406             5.50406
     C             4.56108             7.06433             4.42994
     C             4.62250             0.96254             3.61426
     C             5.84602             0.95502             5.87531
     C             6.38973             2.22431             6.30137
     C             1.44285             3.60196             4.03780
     C             2.73436             2.93607             3.75142
     C             7.08206             5.12781             2.47757
     C             3.70106             1.94803             3.31686
     C             7.55020             4.89929            -1.49211
     H             7.91354             5.15796            -2.45443
     C             6.76026             4.17003             3.56225
     H             8.78362             3.96449             1.05404
     C             7.37417             3.11801             4.22302
     H             7.97862             2.12491             3.78414
     C             7.67157             2.70211             5.56349
     H             8.15338             3.25304             6.25145
           70
 Energy:   -408.2129413845675    
     C             4.28654             3.51131             0.14442
     C             2.67612             2.93673             0.00024
     C             1.78981             4.10198             0.36652
     C             2.72570             5.25701             0.34172
     C             4.12309             5.05252             0.00520
     C             6.25788             0.82823             2.06019
     C             4.94920             1.67216             1.33141
     C             5.36147             2.80604             0.55585
     C             6.72234             3.26983             1.06772
     C             6.97540             2.14268             1.95101
     C             0.71592             0.88626             3.00955
     C             1.34708             1.54443             2.00228
     C             2.49863             1.69200             0.88625
     C             3.67736             1.02058             1.37671
     C             3.67530            -0.19570             2.47805
     C             0.35123             4.65663             3.72504
     C             0.74381             5.29693             2.37752
     C             1.16409             4.05035             1.69419
     C             0.62610             2.83755             2.20877
     C            -0.00274             3.03801             3.73107
     C             3.63017             7.64906             3.39645
     C             3.97619             6.94800             2.08259
     C             2.89877             6.13634             1.52439
     C             1.79668             6.40693             2.29203
     C             2.08138             6.98492             3.52989
     C             7.54372             4.63588             1.21903
     C             7.04419             4.65463            -0.49820
     C             4.92017             6.16702             0.24605
     C             5.23697             6.65492             1.48422
     C             6.49197             6.58593             2.49637
     C             4.13577             1.91647             6.98735
     C             2.79378             2.35500             7.24036
     C             3.03076             3.88300             7.27297
     C             4.63458             4.18520             6.56473
     C             5.39961             2.87650             6.66262
     C             3.34859            -0.88984             3.61293
     C             3.18996             0.14223             4.94317
     C             4.46049             0.70497             6.00350
     C             6.30038             0.05648             4.75654
     C             5.77551             0.27745             3.39801
     C             0.17144             2.24250             4.98445
     C             0.55663             3.03011             6.16502
     C             1.70531             1.80734             6.40370
     C             1.91999             0.87011             5.36606
     C             0.77446             1.00798             4.55347
     C             1.56411             6.20202             4.80737
     C             2.91455             5.67132             5.49695
     C             2.18185             4.59430             6.45905
     C             0.82281             4.43440             6.15170
     C             0.47218             5.37730             5.11701
     C             5.89238             6.51983             4.05745
     C             6.16748             4.90679             4.61111
     C             5.29525             5.39309             5.92467
     C             4.27363             6.22808             5.59930
     C             4.70742             7.00384             4.40433
     C             4.62295             1.04853             3.55711
     C             5.98211             0.74245             5.83453
     C             6.35967             2.03899             6.22140
     C             1.60010             3.43985             4.02507
     C             2.66171             2.70459             3.73156
     C             7.12058             5.00273             2.48871
     C             3.73129             1.98198             3.38976
     C             7.44762             4.88466            -1.58845
     H             7.97870             4.57861            -2.30853
     C             7.10802             4.12833             3.65915
     H             8.70759             4.26359             1.17883
     C             7.68518             2.73178             4.20763
     H             7.62201             1.98703             3.49767
     C             7.64094             2.69058             5.90762
     H             8.33988             3.21940             6.59049
           70
 Energy:   -410.3259607559667    
     C             4.04261             3.55624             0.09534
     C             2.71999             2.84283             0.11552
     C             1.75068             4.14229             0.28939
     C             2.64468             5.30323             0.39427
     C             4.02761             4.94093            -0.09437
     C             6.08606             1.08036             2.12476
     C             5.03976             1.64043             1.24635
     C             5.23258             3.02208             0.74789
     C             6.49596             3.35713             1.03473
     C             7.11536             2.33523             1.81870
     C             0.76854             0.92544             3.19484
     C             1.36222             1.67664             1.77401
     C             2.53222             1.69180             1.09914
     C             3.65258             0.88506             1.61359
     C             3.73525            -0.29714             2.30575
     C             0.76815             4.70115             3.71459
     C             0.88179             5.33015             2.34690
     C             1.15919             4.05911             1.56178
     C             0.61394             2.86455             2.03602
     C             0.07200             3.20267             3.56986
     C             3.67290             7.50456             3.47591
     C             3.97388             6.75969             2.04261
     C             2.72468             6.33838             1.34878
     C             1.59099             6.40700             2.26998
     C             2.10036             7.13282             3.52382
     C             7.45616             4.47230             0.89496
     C             6.94472             4.96975            -0.36979
     C             4.81555             6.16857             0.30001
     C             5.47360             6.77800             1.63492
     C             6.20075             6.33748             2.74481
     C             4.25821             1.64498             6.97043
     C             2.85703             2.31122             7.09325
     C             3.31054             3.76453             7.01759
     C             4.58303             4.00426             6.61687
     C             5.21490             2.78506             6.91276
     C             3.59390            -0.72397             3.80210
     C             3.14287             0.07085             5.06304
     C             4.29151             0.53120             5.91783
     C             6.47078            -0.36284             4.67872
     C             5.87103             0.45317             3.47819
     C             0.01733             2.25256             4.87223
     C             0.59931             2.96172             6.04538
     C             1.57635             1.85885             6.56693
     C             1.89198             0.71977             5.38502
     C             0.67710             0.97622             4.54972
     C             1.89323             6.36781             4.76155
     C             2.82101             5.61741             5.50653
     C             2.31030             4.67369             6.43431
     C             0.83914             4.42292             6.19627
     C             0.49369             5.46140             5.15103
     C             6.05759             6.47726             4.06538
     C             6.35932             5.15991             4.77988
     C             5.37012             5.21472             5.96902
     C             4.13099             6.32584             5.49453
     C             4.58323             7.17597             4.44096
     C             4.72802             1.36308             3.66157
     C             5.77530             0.50783             5.80863
     C             6.46205             1.87637             6.26848
     C             1.64189             3.40912             3.90670
     C             2.52350             2.57031             3.73005
     C             7.14088             5.16113             2.56830
     C             3.68279             2.10074             3.53856
     C             7.32866             4.78052            -1.65053
     H             7.94799             4.32471            -2.45469
     C             7.33586             4.17126             3.94506
     H             8.28232             5.13071             1.13780
     C             7.93850             2.66700             4.47595
     H             8.04246             1.70068             4.21347
     C             7.74111             2.67925             5.75288
     H             8.64110             3.15245             6.31937
           70
 Energy:   -410.4326999952891    
     C             3.96502             3.53026            -0.02680
     C             2.71212             2.83508             0.36089
     C             1.95335             4.08822             0.35787
     C             2.60982             5.40180             0.22370
     C             3.90877             5.06390            -0.09480
     C             6.19982             1.46828             2.10259
     C             4.90235             1.46619             1.29437
     C             4.87332             2.96196             0.84813
     C             6.51276             3.36549             1.14025
     C             7.14598             2.28005             1.74019
     C             0.99870             0.85755             3.01572
     C             1.13944             1.63961             1.89943
     C             2.58254             1.69894             1.22628
     C             3.77463             0.92367             1.61811
     C             3.71438            -0.43325             2.45064
     C             0.83033             4.75365             3.78659
     C             0.98508             5.14735             2.35871
     C             0.82006             4.19090             1.30056
     C             0.55422             2.99588             2.00983
     C             0.01798             3.37951             3.42865
     C             3.56789             7.19890             3.27355
     C             3.84641             6.84702             1.99704
     C             2.57483             6.59325             1.25725
     C             1.54201             6.67923             2.30303
     C             2.22536             7.18196             3.56448
     C             7.25639             4.75311             1.04883
     C             6.97361             5.30993            -0.53677
     C             4.89590             6.03445             0.34333
     C             5.45105             6.73543             1.69591
     C             6.25888             5.92759             2.71524
     C             4.06588             1.39155             6.88817
     C             3.00794             2.33100             6.99964
     C             3.24626             3.67977             6.64634
     C             4.84669             3.92393             6.76361
     C             5.32205             2.35947             6.98593
     C             3.72350            -0.30970             3.86921
     C             3.21432            -0.04122             5.13045
     C             4.23703             0.39223             5.94731
     C             6.46045            -0.53500             4.53162
     C             6.00146             0.58220             3.63847
     C            -0.08074             2.35861             4.74869
     C             0.60086             2.80193             5.98511
     C             1.65297             1.91513             6.54839
     C             1.71034             0.63230             5.52011
     C             0.57390             1.06707             4.49584
     C             1.80154             6.44348             4.70758
     C             2.84627             5.87350             5.64951
     C             2.41886             4.74537             6.44588
     C             0.92563             4.29958             6.20687
     C             0.70096             5.51547             5.01781
     C             5.91395             6.47390             4.20547
     C             6.63222             5.34565             4.99199
     C             5.18281             5.02023             5.83979
     C             4.23535             6.03762             5.59133
     C             4.69037             7.24439             4.50200
     C             4.99080             1.52756             3.81375
     C             5.75101             0.42203             5.75086
     C             6.51067             1.73511             6.29782
     C             1.57893             3.43432             3.83190
     C             2.44473             2.45657             3.74575
     C             7.21735             4.93581             2.59838
     C             3.74193             2.12199             3.67740
     C             7.15022             4.67824            -1.54659
     H             7.50228             4.44038            -2.62191
     C             7.39625             4.41739             4.00000
     H             8.13129             5.23489             0.86995
     C             8.00956             2.97239             4.34549
     H             8.68655             2.13026             3.70700
     C             7.67589             2.46843             6.01524
     H             8.22890             3.03846             6.96352
           70
 Energy:   -407.8726367437810    
     C             4.01169             3.54831            -0.01353
     C             2.66722             2.92054             0.52663
     C             1.87621             4.20937             0.52262
     C             2.47573             5.61427             0.17879
     C             4.03343             5.11927            -0.12703
     C             6.18609             1.26221             2.30522
     C             5.00640             1.56945             1.49200
     C             5.09185             2.84733             0.85468
     C             6.33536             3.52711             1.12839
     C             7.24296             2.33920             1.66212
     C             1.09442             0.66913             3.06032
     C             1.15119             1.76868             1.97476
     C             2.43208             1.68239             1.35178
     C             3.56662             0.72745             1.62245
     C             3.69020            -0.28358             2.52724
     C             0.62881             4.75118             3.66560
     C             0.99619             5.47227             2.31295
     C             0.63191             4.23573             1.14072
     C             0.33988             2.98098             1.95354
     C            -0.14975             3.43329             3.45765
     C             3.68604             7.09040             3.37107
     C             3.91304             7.03793             1.79043
     C             2.49864             6.72710             1.07308
     C             1.49430             6.71882             2.28197
     C             2.12954             7.04587             3.57199
     C             7.07377             5.04260             1.11589
     C             7.00339             5.50892            -0.50318
     C             5.09630             5.84735             0.43491
     C             5.17640             6.40064             1.63349
     C             6.16143             5.94607             2.72483
     C             3.98931             1.45987             6.97619
     C             2.85804             2.30747             6.81218
     C             3.47110             3.64284             6.55529
     C             5.04673             3.64203             6.72911
     C             5.36893             2.07907             7.00731
     C             3.67036            -0.01199             3.87802
     C             3.08998            -0.00857             5.18501
     C             4.45498             0.22636             6.09744
     C             6.31495            -0.43889             4.51655
     C             6.27183             0.74329             3.52914
     C             0.01569             2.44698             4.65505
     C             0.64708             2.90472             5.99245
     C             1.70971             1.79649             6.32551
     C             1.60178             0.62310             5.59130
     C             0.65347             1.05592             4.28700
     C             1.77768             6.55620             4.93945
     C             2.83308             6.16397             5.83910
     C             2.32730             4.74742             6.37236
     C             0.99306             4.32376             6.02068
     C             0.87556             5.36040             5.05043
     C             5.95359             6.33421             4.15041
     C             6.63107             5.33526             5.27039
     C             5.39395             4.83795             5.66345
     C             4.38773             5.99710             5.52917
     C             4.59229             7.00377             4.49380
     C             5.07015             1.75554             4.01901
     C             5.89455             0.31515             5.56869
     C             6.40340             1.41508             6.24712
     C             1.57185             3.26598             3.82802
     C             2.58948             2.35926             3.77898
     C             7.20654             4.65586             2.74197
     C             3.82085             2.06182             3.85856
     C             6.99475             4.68548            -1.56370
     H             6.88712             4.25693            -2.77358
     C             7.47038             4.58029             4.18442
     H             8.04110             4.87225             0.74504
     C             7.93052             3.28158             4.70371
     H             8.80992             3.31543             3.65642
     C             7.67466             2.39726             5.78821
     H             7.86664             2.78129             6.80274
           70
 Energy:   -407.5722321242812    
     C             4.07720             3.51974             0.24983
     C             2.73407             3.12634             0.61663
     C             1.79639             4.39635             0.49543
     C             2.65982             5.62574             0.16446
     C             3.98865             4.96173            -0.16152
     C             6.40671             1.21719             2.02251
     C             4.90618             1.60354             1.66087
     C             5.26155             2.85279             0.70393
     C             6.34052             3.74297             1.16002
     C             7.12193             2.40918             1.68491
     C             1.02760             0.64804             2.97620
     C             1.16467             1.77947             2.10627
     C             2.38404             1.83537             1.24819
     C             3.53201             0.91997             1.49133
     C             3.60171            -0.15343             2.64717
     C             0.61859             4.74201             3.53563
     C             0.56529             5.50634             2.17336
     C             0.57296             4.38820             1.42873
     C             0.10166             2.93100             1.97572
     C            -0.27369             3.27277             3.45123
     C             3.60573             7.19544             3.39829
     C             3.86495             7.20107             1.91466
     C             2.53512             6.94351             1.10162
     C             1.62531             6.67889             2.21596
     C             2.18256             6.92521             3.64394
     C             6.93078             5.03526             1.06936
     C             7.04043             5.47574            -0.48216
     C             5.28419             5.52064             0.27296
     C             5.03268             6.10926             1.70744
     C             6.02332             5.95314             2.65322
     C             4.12808             1.33739             7.07905
     C             2.95670             2.29556             6.65297
     C             3.51996             3.74634             6.63554
     C             5.06814             3.39641             6.46467
     C             5.36157             2.18075             7.01356
     C             3.45497             0.05411             3.93468
     C             3.05800             0.11352             5.36651
     C             4.36050             0.07270             6.17768
     C             6.26614            -0.30838             4.28847
     C             6.37269             0.88908             3.62956
     C             0.09718             2.29040             4.69767
     C             0.71292             2.97352             5.84223
     C             1.52617             1.92082             6.22135
     C             1.66561             0.57691             5.34241
     C             0.77434             1.01293             4.42152
     C             1.76943             6.64176             5.08932
     C             2.97677             6.08406             6.14434
     C             2.59709             4.72430             6.39477
     C             1.10713             4.32144             5.93254
     C             0.87381             5.32713             4.85950
     C             6.02661             6.26905             4.10087
     C             6.61522             5.50522             5.12918
     C             5.38183             4.69405             5.90866
     C             4.23210             5.94886             5.57831
     C             4.67818             6.61322             4.31508
     C             5.35220             1.83308             4.24429
     C             5.71599             0.00004             5.74998
     C             6.59985             1.41088             6.16453
     C             1.46287             3.26230             3.67589
     C             2.57501             2.44906             3.81868
     C             7.03358             4.77596             2.87004
     C             3.93887             2.04858             4.06891
     C             6.80348             4.90579            -1.53460
     H             6.38938             4.01635            -2.17394
     C             7.54558             4.53332             4.48641
     H             8.13518             4.90888             1.20932
     C             8.01787             3.48544             4.97392
     H             9.11912             2.83604             4.92249
     C             7.44356             2.27425             5.61858
     H             8.14321             2.43475             6.47180
           70
 Energy:   -402.6128410886710    
     C             3.97402             3.55287             0.38846
     C             2.65884             3.32927             0.66704
     C             1.74970             4.45218             0.54048
     C             2.86066             5.59158             0.20309
     C             4.05037             4.74958            -0.16937
     C             6.47288             1.26824             2.01974
     C             4.96093             1.63148             1.42926
     C             5.15499             2.86164             0.72619
     C             6.38733             3.56210             1.20649
     C             7.07714             2.56384             1.67490
     C             0.87415             0.77529             2.98928
     C             1.09343             1.82814             1.96359
     C             2.46473             2.05636             1.13988
     C             3.61251             1.20970             1.56833
     C             3.42849             0.07669             2.60394
     C             0.53710             4.59692             3.40930
     C             0.26323             5.70488             2.31937
     C             0.64979             4.24085             1.41055
     C             0.15972             2.96687             1.97992
     C            -0.25167             3.15131             3.55596
     C             3.63730             7.25506             3.42950
     C             3.91439             7.11209             2.01573
     C             2.74271             6.89295             1.17499
     C             1.53586             6.56090             2.28719
     C             2.24521             6.91303             3.67849
     C             7.19418             5.01621             1.21738
     C             7.20270             5.45355            -0.36511
     C             5.06637             5.46045             0.35876
     C             4.98785             6.07524             1.57017
     C             5.99454             5.87510             2.62350
     C             4.21988             1.23260             7.06219
     C             3.09585             2.23956             6.67476
     C             3.54706             3.50844             6.66509
     C             4.89661             3.56370             6.30418
     C             5.50696             2.08830             6.82292
     C             3.23560            -0.10298             4.04025
     C             3.12946             0.10333             5.32589
     C             4.07381             0.05588             6.32412
     C             6.22962            -0.29215             4.31514
     C             6.34601             1.17536             3.38607
     C             0.02429             2.12973             4.67367
     C             0.73701             3.01120             5.64696
     C             1.78459             1.93628             6.27062
     C             1.85637             0.73100             5.44910
     C             0.71661             0.91882             4.31076
     C             1.87038             6.46836             5.08984
     C             2.94651             5.99103             6.14198
     C             2.57992             4.61571             6.55469
     C             1.41059             4.40326             5.83773
     C             0.88924             5.45086             4.83109
     C             5.94138             6.44963             3.89863
     C             6.42007             5.52134             5.08054
     C             5.38070             4.94634             6.07644
     C             4.38156             5.80996             5.61072
     C             4.49150             6.38955             4.31077
     C             5.53420             1.93897             4.34280
     C             5.70023            -0.20151             5.90519
     C             6.27344             1.18556             6.17431
     C             1.49548             3.25047             3.38845
     C             2.58565             2.69702             3.86812
     C             7.02638             4.93390             2.97769
     C             4.04428             2.18373             4.27441
     C             6.64090             5.04614            -1.60862
     H             6.16532             4.20397            -1.96830
     C             7.53663             4.58426             4.18873
     H             8.09807             5.91803             1.72270
     C             8.35279             3.38637             5.17743
     H             9.36399             3.84205             5.03183
     C             7.46585             2.17794             5.70072
     H             8.23580             1.71074             6.12692
           70
 Energy:   -408.4614701223160    
     C             3.87849             3.49792             0.32204
     C             2.53299             3.26056             0.68341
     C             1.80958             4.51778             0.67928
     C             2.74194             5.55799             0.26899
     C             4.04434             4.92496            -0.18066
     C             6.27500             1.45818             2.03724
     C             5.17497             1.55705             1.12945
     C             5.04563             3.07306             0.87113
     C             6.35853             3.68768             1.04072
     C             7.37188             2.44189             1.75104
     C             0.80027             0.88213             2.80535
     C             1.09061             1.83250             1.64734
     C             2.35545             2.06893             1.34575
     C             3.63537             1.35434             1.76897
     C             3.20636             0.38627             2.62042
     C             0.44431             4.56652             3.52414
     C             0.37966             5.56819             2.25151
     C             0.53571             4.46428             1.47093
     C             0.24593             3.06418             1.90571
     C            -0.16510             3.04114             3.49095
     C             3.60275             7.12263             3.42869
     C             4.01562             6.90548             1.98701
     C             2.72370             6.52157             1.33138
     C             1.46972             6.59467             2.37562
     C             2.20017             6.99255             3.67721
     C             7.44287             4.89452             1.19580
     C             7.22064             5.23503            -0.29335
     C             5.14764             5.59817             0.40686
     C             5.13512             6.30490             1.62194
     C             5.97427             5.88696             2.53616
     C             4.18928             1.37686             7.07389
     C             3.10526             2.11951             6.99872
     C             3.48030             3.48848             6.66488
     C             5.02360             3.74733             6.43960
     C             5.23543             2.13923             6.64007
     C             3.21937            -0.36399             3.72168
     C             2.98618             0.00512             5.26931
     C             4.17517            -0.06185             6.36795
     C             6.15680            -0.05282             4.41308
     C             6.25618             0.96250             3.54546
     C            -0.04348             2.15421             4.70712
     C             1.05173             2.91742             5.70895
     C             1.98012             2.02559             6.25479
     C             1.79748             0.80919             5.52108
     C             0.72218             0.86334             4.43169
     C             2.05101             6.29526             4.90017
     C             2.96531             5.84140             5.97815
     C             2.52951             4.51399             6.69853
     C             1.32220             4.24005             5.67458
     C             0.95352             5.27051             4.87689
     C             5.70717             6.46819             3.94593
     C             6.50819             5.30724             4.92543
     C             5.50503             5.09607             6.02589
     C             4.22844             5.93925             5.64307
     C             4.43645             6.51808             4.42524
     C             5.38102             2.13953             4.33648
     C             5.59792            -0.28731             5.76278
     C             6.35014             1.10331             6.03696
     C             1.54847             3.29188             3.36745
     C             2.88562             2.87039             3.94313
     C             7.23655             4.88899             2.77169
     C             4.06054             2.44122             4.41080
     C             6.60038             5.26603            -1.34801
     H             6.04614             4.85676            -2.07922
     C             7.46205             4.46946             4.38191
     H             7.54018             6.26486             1.27761
     C             8.30895             3.49621             5.09634
     H             9.03246             4.22848             5.27794
     C             7.71768             2.02548             5.75894
     H             8.01207             0.92410             5.75191
           70
 Energy:   -410.2223929259060    
     C             3.90328             3.68264             0.12064
     C             2.55781             3.22138             0.61923
     C             1.74699             4.37425             0.68168
     C             2.53785             5.52103             0.38891
     C             3.91768             5.17518            -0.07481
     C             6.25696             1.48512             2.19120
     C             5.02012             1.60525             1.15446
     C             5.16797             3.15421             0.85536
     C             6.61714             3.56783             1.07752
     C             7.33984             2.53624             1.65878
     C             0.77345             0.90147             2.81227
     C             0.87032             1.77429             1.67407
     C             2.39531             2.07704             1.41774
     C             3.60213             1.47501             1.74966
     C             3.13516             0.54071             2.75070
     C             0.43271             4.62212             3.63581
     C             0.61580             5.54905             2.50328
     C             0.55956             4.47198             1.24528
     C             0.20813             3.16697             1.72410
     C             0.04320             3.02054             3.32880
     C             3.56890             7.06977             3.36732
     C             3.79068             6.78191             2.02941
     C             2.59132             6.30006             1.53600
     C             1.51551             6.61241             2.37536
     C             2.11369             6.99733             3.63086
     C             7.57040             4.86616             1.16799
     C             7.22011             4.97285            -0.36435
     C             5.26938             5.75796             0.26628
     C             5.37380             6.46059             1.54246
     C             6.29409             5.89850             2.78556
     C             4.18050             1.13068             7.04895
     C             2.96188             2.32197             7.28338
     C             3.56904             3.64914             6.91504
     C             5.18240             3.78500             6.63779
     C             5.31380             2.23043             6.38168
     C             3.18072            -0.59830             3.65000
     C             2.95175            -0.23643             5.17096
     C             4.21005            -0.02703             6.21120
     C             6.13480            -0.13178             4.49324
     C             5.92784             1.15373             3.62927
     C             0.12444             2.24815             4.86112
     C             0.97751             2.76916             5.66165
     C             1.94723             1.77073             6.25678
     C             1.78811             0.60680             5.38662
     C             0.72706             0.93946             4.34174
     C             1.92470             6.05501             4.76716
     C             2.82188             5.67824             5.87203
     C             2.41194             4.55802             6.51278
     C             1.28110             4.10064             5.92018
     C             1.04244             5.03854             4.78565
     C             5.84775             6.04678             3.99578
     C             6.38335             5.29379             4.91274
     C             5.42435             5.09741             5.88772
     C             4.29997             6.07015             5.76435
     C             4.51779             6.90314             4.43686
     C             5.29117             2.18432             4.16910
     C             5.45137            -0.23007             5.69466
     C             6.53106             1.43961             5.98171
     C             1.70894             3.39539             3.63315
     C             2.87577             3.11747             3.88514
     C             7.39904             4.78091             2.81980
     C             4.09626             2.75941             4.50004
     C             6.51725             5.42539            -1.20463
     H             6.13975             5.96948            -2.07348
     C             7.38082             4.33568             4.25003
     H             7.75539             6.05798             1.44734
     C             8.00961             3.33826             5.15912
     H             8.95381             3.46306             5.90226
     C             7.98076             1.98885             5.60512
     H             8.92195             1.27259             5.09599
           70
 Energy:   -408.3911744111466    
     C             4.07112             3.86013             0.07715
     C             2.78328             3.24479             0.42506
     C             1.72887             4.29673             0.33699
     C             2.51273             5.48836             0.46986
     C             3.88458             5.30716             0.01600
     C             6.28974             1.42979             2.23508
     C             4.81774             1.88720             1.50284
     C             5.34783             3.14836             0.59543
     C             6.71114             3.57164             1.04269
     C             7.17801             2.27890             1.74737
     C             0.66514             0.83921             2.85983
     C             0.92719             1.86009             1.82277
     C             2.28430             2.14959             1.21307
     C             3.48920             1.34039             1.79055
     C             3.29030             0.45433             2.89379
     C             0.37232             4.52655             3.55820
     C             0.60327             5.43351             2.41022
     C             0.52641             4.42410             1.28327
     C            -0.01470             3.10166             1.65024
     C             0.22759             3.02806             3.29244
     C             3.60213             7.22696             3.49159
     C             3.91136             6.64612             2.03109
     C             2.48453             6.40934             1.49061
     C             1.48231             6.50560             2.51625
     C             2.10670             6.88123             3.73723
     C             7.63815             4.95610             1.22183
     C             7.19765             4.72282            -0.46967
     C             5.13494             5.98857             0.19130
     C             5.47833             6.47892             1.62663
     C             6.62973             5.92205             2.54634
     C             4.13995             1.32094             6.86446
     C             3.10762             2.25556             7.29176
     C             3.55804             3.77514             7.28956
     C             4.98117             3.75637             6.70351
     C             5.43176             2.14654             6.36092
     C             3.12167            -0.61537             3.74666
     C             3.04193            -0.47048             5.09226
     C             3.98678             0.04104             5.93110
     C             6.10058            -0.06895             4.41593
     C             5.80624             1.18753             3.53633
     C             0.22656             2.22092             4.47434
     C             0.89596             2.69347             5.97246
     C             1.89666             1.46097             6.36505
     C             1.82176             0.39374             5.21433
     C             0.74447             0.99318             4.26722
     C             1.84635             6.01351             4.78120
     C             2.95618             5.84734             5.69946
     C             2.62625             4.51288             6.47673
     C             1.16737             4.07315             6.06935
     C             0.90162             4.92021             5.04869
     C             5.74273             6.14885             3.98972
     C             6.39214             4.96683             5.08049
     C             5.24143             4.94339             6.07184
     C             4.30336             6.17476             5.73982
     C             4.72364             7.07510             4.46642
     C             5.06677             2.33678             4.17960
     C             5.41753            -0.25880             5.60242
     C             6.75940             1.96271             5.93485
     C             1.66532             3.43945             3.79040
     C             2.96684             3.34495             3.93707
     C             7.41805             4.66845             2.90039
     C             4.07349             3.12959             4.46515
     C             6.51228             5.58505            -1.32269
     H             6.35663             6.77037            -1.46206
     C             7.35047             4.19149             4.23662
     H             8.51923             5.59397             0.82947
     C             7.87053             3.32601             5.21410
     H             8.52788             4.07880             5.72294
     C             7.96337             1.68441             5.31387
     H             9.09495             1.76906             5.42988
           70
 Energy:   -405.0107022011398    
     C             4.28783             3.89140             0.09928
     C             2.86386             3.21194             0.19402
     C             1.61896             4.41705             0.17005
     C             2.63224             5.59482             0.34510
     C             4.00734             5.26607             0.02352
     C             5.88327             1.35116             2.17770
     C             4.83993             2.15515             1.73830
     C             5.33023             3.12670             0.50035
     C             6.72017             3.43417             1.01703
     C             7.27893             2.17457             1.78102
     C             0.66030             0.73905             2.59939
     C             1.13224             1.87763             1.76039
     C             2.38599             2.01494             1.10218
     C             3.34993             1.32363             1.87026
     C             3.49854             0.33432             2.83429
     C             0.38205             4.54138             3.73059
     C             0.46913             5.26163             2.21378
     C             0.54442             4.27539             1.14822
     C            -0.13871             2.95912             1.71967
     C             0.05461             3.07848             3.21845
     C             3.59359             7.32505             3.52183
     C             4.09694             6.73973             2.21881
     C             2.56547             6.60796             1.46087
     C             1.49419             6.36438             2.54715
     C             2.21940             6.78716             3.81375
     C             7.69521             4.79848             1.06635
     C             7.06802             4.81476            -0.48042
     C             4.96747             6.32372             0.27353
     C             5.46696             6.36649             1.61723
     C             6.49624             6.06353             2.55966
     C             4.29271             1.47221             6.41225
     C             3.11013             2.06808             7.15828
     C             3.42804             3.56545             7.47970
     C             4.69817             3.55573             6.79495
     C             5.47401             2.27262             6.56261
     C             3.19385            -0.70999             3.72204
     C             2.85110            -0.45488             5.10287
     C             4.12403             0.18850             5.86113
     C             6.01471             0.10329             4.36436
     C             5.77668             1.19717             3.62782
     C             0.40862             2.23211             4.68228
     C             0.78661             2.42612             6.04983
     C             1.83535             1.47595             6.51057
     C             1.74079             0.33758             5.27553
     C             0.88208             0.74601             4.24753
     C             1.83882             6.06488             5.02257
     C             3.00197             5.74139             5.76772
     C             2.77756             4.63104             6.58367
     C             1.29161             3.99872             6.27801
     C             0.60835             5.14798             5.10776
     C             6.08656             6.14712             3.99067
     C             6.16732             4.94864             4.84112
     C             5.20065             4.94957             6.16440
     C             4.40928             6.23255             5.64265
     C             4.86627             6.96345             4.57664
     C             5.02881             2.30496             4.19903
     C             5.33314            -0.39103             5.41551
     C             6.78796             2.43447             5.90750
     C             1.59080             3.49229             3.77624
     C             2.92927             3.63814             4.03240
     C             7.41599             4.61871             2.70358
     C             4.21290             3.47910             4.45287
     C             6.73985             5.59127            -1.23522
     H             6.32699             6.79685            -1.05146
     C             7.20768             4.18390             4.22481
     H             8.73528             4.78631             0.95397
     C             7.89370             3.16438             5.31028
     H             8.28622             3.78940             6.13625
     C             8.10374             1.57460             5.01629
     H             8.93304             1.02923             5.56539
           70
 Energy:   -406.4949649176200    
     C             4.17699             3.84172             0.00051
     C             2.71263             3.27090             0.08386
     C             1.76584             4.41466             0.16350
     C             2.71126             5.77818             0.23600
     C             4.13876             5.37175            -0.06841
     C             5.84731             1.47676             2.26151
     C             4.66195             2.19973             1.57158
     C             5.30893             3.11328             0.81272
     C             6.77591             3.15885             0.96816
     C             7.11010             2.07406             1.74586
     C             0.82812             0.68695             2.56446
     C             1.03446             1.81315             1.54899
     C             2.46733             1.97070             1.04330
     C             3.62836             1.57045             1.87977
     C             3.59117             0.18877             2.65388
     C             0.28045             4.70619             3.82513
     C             0.50565             5.22887             2.30964
     C             0.44514             4.10785             0.97669
     C             0.13937             2.87562             1.72016
     C            -0.06890             3.00530             3.50867
     C             3.81929             7.18812             3.68874
     C             4.05709             7.00344             2.25311
     C             2.77521             6.60262             1.49275
     C             1.60442             6.25878             2.39701
     C             2.20419             6.70311             3.82714
     C             7.76915             4.38336             1.03001
     C             7.05116             4.85038            -0.31289
     C             4.87923             6.49736             0.29889
     C             5.33394             6.41882             1.72608
     C             6.35703             5.94852             2.62479
     C             4.33393             1.53110             6.19228
     C             3.01839             1.88969             6.85733
     C             3.20467             3.26460             7.43267
     C             4.78445             3.70435             6.87415
     C             5.65753             2.56049             6.53501
     C             3.27697            -0.79679             3.73924
     C             2.92827            -0.25772             5.14922
     C             4.18729             0.13037             5.70564
     C             6.05123             0.16044             4.35758
     C             5.68369             1.38219             3.66032
     C             0.41863             2.06803             4.68513
     C             0.88350             2.58246             6.08250
     C             1.72402             1.47379             6.53969
     C             1.60223             0.45158             5.61718
     C             0.86245             0.69086             3.94090
     C             1.87079             6.23628             5.17996
     C             3.02260             5.70280             5.97964
     C             2.52871             4.50312             6.82798
     C             1.23698             4.12603             6.17797
     C             0.71313             5.16310             5.38484
     C             6.24133             6.37735             4.04524
     C             5.97757             4.96669             4.67277
     C             5.25758             4.88250             6.03001
     C             4.36375             6.03339             5.78992
     C             4.86912             6.84088             4.46365
     C             4.97848             2.41526             4.27946
     C             5.23926            -0.60881             5.27101
     C             6.72195             2.29617             5.85267
     C             1.57179             3.61050             3.69479
     C             2.87814             3.91104             4.14963
     C             7.21275             4.78496             2.54447
     C             4.39333             3.59213             4.35117
     C             6.85748             5.78660            -1.22989
     H             6.18478             6.84302            -1.80583
     C             7.14689             4.15542             4.06345
     H             8.77380             4.28796             1.03860
     C             8.09618             3.36070             5.22655
     H             8.95977             3.33109             5.95763
     C             7.90325             1.64840             5.10226
     H             7.91287             0.59911             4.86061
           70
 Energy:   -409.7148900595133    
     C             4.10667             3.80081            -0.04297
     C             2.70515             3.23760             0.14125
     C             1.85967             4.46630             0.26016
     C             2.74079             5.74503             0.21675
     C             4.08254             5.46008            -0.27069
     C             5.84637             1.62411             2.47810
     C             4.96195             1.99664             1.56420
     C             5.17673             3.41822             0.79579
     C             6.72927             2.95803             0.82300
     C             7.02608             1.84346             1.66909
     C             1.07561             0.68109             2.54124
     C             1.00572             1.56398             1.45332
     C             2.37987             2.09873             0.97250
     C             3.40940             1.47683             1.83117
     C             3.56200             0.06819             2.54981
     C             0.16306             4.67508             3.91948
     C             0.66855             5.17143             2.33574
     C             0.52251             4.27694             1.22641
     C             0.45540             2.88160             2.11436
     C             0.15643             3.16538             3.44972
     C             3.73466             6.97098             3.65275
     C             3.89870             7.18582             2.21268
     C             2.83747             6.47253             1.47484
     C             1.78980             6.19370             2.39831
     C             2.28230             6.63863             3.83830
     C             7.67142             4.08381             1.01076
     C             7.14887             5.04254            -0.14967
     C             5.05987             6.46341             0.36719
     C             5.19866             6.66347             1.80847
     C             6.18215             5.96498             2.56112
     C             4.37888             1.46291             6.21316
     C             3.07833             1.91950             6.65233
     C             3.35512             3.24854             7.11843
     C             4.77173             3.92234             6.97852
     C             5.43733             2.54085             6.38296
     C             3.24424            -0.59574             3.69997
     C             2.87361            -0.10142             5.04071
     C             4.22414             0.10753             5.70498
     C             6.03698             0.11845             4.27394
     C             5.61515             1.41562             3.79061
     C             0.38422             1.98514             4.60244
     C             0.92084             2.79464             5.87710
     C             1.59258             1.55573             6.44928
     C             1.53152             0.38692             5.35353
     C             0.93029             0.73657             4.13490
     C             1.86883             6.22873             5.27423
     C             2.90034             5.71989             6.33360
     C             2.23989             4.29092             7.00206
     C             1.10471             4.07711             6.20521
     C             0.87558             5.21446             5.22044
     C             6.11639             6.55363             4.12458
     C             6.14035             4.87751             4.70889
     C             5.23285             4.77073             5.83565
     C             4.35610             5.85959             5.79245
     C             4.74440             6.65684             4.75834
     C             4.99127             2.54091             4.38450
     C             5.34017            -0.70352             5.06447
     C             6.74451             2.31661             5.87841
     C             1.65394             3.78593             3.75968
     C             2.87805             4.02368             4.18149
     C             7.09833             4.78424             2.43787
     C             4.13479             3.75173             4.21727
     C             6.89937             5.84491            -1.07256
     H             6.89182             6.10113            -2.38661
     C             7.16757             4.14520             3.89181
     H             8.70669             3.83288             0.87844
     C             8.06238             3.30046             5.02117
     H             8.99965             3.87445             4.87833
     C             7.84285             1.73743             5.10232
     H             8.18791             1.37477             4.03942
           70
 Energy:   -409.7333042157032    
     C             4.05549             3.99549            -0.07452
     C             2.77220             3.30896             0.28060
     C             1.79035             4.48842             0.44321
     C             2.69374             5.59832             0.30488
     C             4.10141             5.42554            -0.38765
     C             6.03667             1.54884             2.59037
     C             4.76171             2.00315             1.51326
     C             5.14175             3.30411             0.66979
     C             6.61196             2.79108             0.69245
     C             7.07492             1.66812             1.54341
     C             1.26137             0.53744             2.76645
     C             1.09041             1.62853             1.57363
     C             2.31478             2.06829             0.95061
     C             3.43593             1.23777             1.61627
     C             3.39961             0.13503             2.40588
     C             0.22092             4.80185             3.79217
     C             0.84438             5.30554             2.61042
     C             0.93218             4.28522             1.55802
     C             0.64972             2.93266             1.91526
     C             0.38241             3.11560             3.55895
     C             3.60964             6.91014             3.70398
     C             3.85605             7.10028             2.24749
     C             2.70350             6.45381             1.45043
     C             1.84168             6.08296             2.67758
     C             2.30337             6.47468             3.93430
     C             7.40822             4.08950             1.01968
     C             7.36170             5.29423             0.04943
     C             5.27437             6.22408             0.34454
     C             5.15281             6.90807             1.64268
     C             6.07922             6.09023             2.64359
     C             4.38737             1.28534             6.31146
     C             3.11233             2.07371             6.58906
     C             3.38378             3.51544             6.85285
     C             4.85676             3.69161             6.85445
     C             5.23529             2.40601             6.40615
     C             3.11317            -0.32396             3.58304
     C             2.97026            -0.19043             4.93734
     C             4.29570            -0.00901             5.72510
     C             6.08475             0.10924             4.13585
     C             5.56867             1.45883             4.10732
     C             0.27793             2.19743             4.42195
     C             0.76290             2.59718             5.65337
     C             1.73041             1.60994             6.16054
     C             1.72182             0.33930             5.22329
     C             0.81519             0.89922             4.08597
     C             1.95133             6.09212             5.22710
     C             2.76801             5.64444             6.63407
     C             2.33395             4.38941             7.03169
     C             0.95839             4.09337             6.17553
     C             0.77516             5.26511             5.24405
     C             5.97423             6.22336             4.14521
     C             6.40768             5.01596             4.73663
     C             5.20504             4.65364             5.79585
     C             4.14525             5.69655             5.90643
     C             4.47837             6.75069             4.75682
     C             4.92167             2.74371             4.36989
     C             5.28523            -0.65052             5.05721
     C             6.75437             2.51224             5.89580
     C             1.66993             3.98394             3.78972
     C             2.89257             4.11821             4.14913
     C             7.01691             4.71371             2.43408
     C             4.11729             3.66210             4.18311
     C             6.99061             5.77244            -0.91446
     H             7.39185             5.77696            -2.05455
     C             7.14923             4.19246             3.74542
     H             8.45507             3.71126             1.13637
     C             7.85027             3.23707             4.68736
     H             8.93658             3.88323             4.47801
     C             7.94150             1.81968             4.92703
     H             8.79557             1.47048             4.40882
           70
 Energy:   -406.4255474240551    
     C             4.07271             3.90310             0.02595
     C             2.71376             3.40633             0.36073
     C             1.88858             4.42779             0.60092
     C             2.65615             5.65827             0.41410
     C             4.14116             5.46113            -0.25824
     C             5.95668             1.47778             2.42149
     C             4.70008             2.00244             1.65956
     C             5.09178             2.88466             0.48890
     C             6.56020             2.86311             0.62784
     C             6.95615             1.61371             1.37684
     C             1.26270             0.62226             2.78166
     C             1.26158             1.67090             1.81456
     C             2.50711             1.89646             0.91564
     C             3.62100             1.23550             1.22103
     C             3.19599             0.25114             2.14105
     C             0.17037             4.84037             3.95701
     C             0.74416             5.39491             2.45404
     C             1.25602             4.33263             1.75745
     C             0.58873             2.98898             1.90776
     C             0.38586             3.33607             3.22257
     C             3.52968             7.09433             3.68577
     C             3.82093             6.94956             2.23815
     C             2.59757             6.52847             1.61425
     C             1.86030             6.24378             2.73667
     C             2.38804             6.39315             4.11247
     C             7.24160             4.12898             1.23871
     C             7.52930             5.47263             0.34300
     C             5.25806             6.03927             0.20162
     C             5.28879             6.82168             1.60202
     C             6.15924             6.08729             2.66781
     C             4.21541             1.21789             6.48337
     C             3.03764             2.15385             6.50766
     C             3.36933             3.47264             6.81559
     C             4.78052             3.47751             6.48648
     C             5.69054             2.16253             6.47973
     C             3.03642            -0.20877             3.46518
     C             3.04917            -0.32552             4.89776
     C             4.17116            -0.13117             5.72182
     C             6.03037             0.12765             4.17361
     C             5.70360             1.59542             4.19074
     C             0.04524             2.11469             4.37129
     C             0.71833             2.55495             5.85555
     C             1.98761             1.70977             5.90921
     C             1.81197             0.51581             5.25935
     C             0.75829             0.85759             4.05925
     C             1.92253             5.94069             5.36262
     C             2.70898             5.85901             6.52935
     C             2.22459             4.44253             6.91202
     C             0.90799             3.98843             6.16111
     C             0.50092             5.29231             5.45366
     C             5.57248             6.09097             4.05373
     C             6.40644             5.06396             4.91526
     C             5.29979             4.68852             5.92292
     C             4.03348             5.74668             5.92237
     C             4.58207             6.66546             4.72254
     C             5.02873             2.69029             4.38299
     C             5.42538            -0.66602             5.08686
     C             6.87660             2.53332             5.64361
     C             1.74618             4.06143             3.82449
     C             2.95396             4.28094             4.09857
     C             6.67544             4.90636             2.47022
     C             4.13460             3.70766             4.19635
     C             7.13555             5.76057            -0.97546
     H             7.14901             6.01366            -2.08241
     C             6.98945             4.37914             3.68255
     H             8.39204             3.98214             1.24477
     C             7.68052             3.37373             4.37493
     H             8.82070             3.30728             5.00063
     C             7.90909             1.66205             4.94508
     H             8.48429             0.90195             5.46298
           70
 Energy:   -401.7048095326075    
     C             4.15217             3.57629             0.13670
     C             2.81380             3.18964             0.29813
     C             2.17732             4.53650             0.62167
     C             2.74906             5.85695             0.50965
     C             3.99383             5.24997             0.00541
     C             5.81259             1.33173             2.39761
     C             4.77670             1.95397             1.63508
     C             5.12758             2.65800             0.38281
     C             6.60249             3.01067             0.63725
     C             6.84615             1.68379             1.22138
     C             1.16353             0.76660             2.69285
     C             1.58469             1.84049             1.74770
     C             2.50849             2.01616             0.75651
     C             3.70988             1.08566             1.11616
     C             3.10507             0.16350             2.04151
     C             0.18271             4.88102             4.07484
     C             0.67950             5.34939             2.63470
     C             1.10746             4.29459             1.67427
     C             0.59483             2.85239             1.91150
     C             0.11476             3.36927             3.53922
     C             3.66890             7.26234             3.75757
     C             4.00938             6.97326             2.20150
     C             2.71666             6.60460             1.66425
     C             1.56877             6.45748             2.71827
     C             2.28969             6.42443             4.24519
     C             7.17385             4.28207             1.33124
     C             7.53012             5.53864             0.30660
     C             5.29584             6.14641             0.27802
     C             5.23439             6.51048             1.57162
     C             5.97715             6.24640             2.64311
     C             4.47544             1.27469             6.54406
     C             3.21994             1.98047             6.54262
     C             3.37512             3.41260             6.85969
     C             4.83256             3.31758             6.26157
     C             5.75204             1.93278             6.38265
     C             3.07281            -0.21236             3.27725
     C             2.81074            -0.29821             4.75218
     C             4.25784            -0.15802             5.79478
     C             6.00905             0.19569             4.32687
     C             6.03119             1.56043             3.78931
     C             0.00586             2.18502             4.48734
     C             0.71167             2.60712             5.80387
     C             1.86855             1.82524             5.84421
     C             1.82457             0.59141             5.07775
     C             0.80892             0.66149             4.20471
     C             1.53984             5.97393             5.43097
     C             2.82920             5.85359             6.40183
     C             2.20009             4.38113             6.76666
     C             0.89789             3.95396             6.32162
     C             0.41452             5.10333             5.48112
     C             5.64360             6.03749             3.95438
     C             6.13503             5.09010             4.99665
     C             5.26265             4.81938             6.10412
     C             4.30417             5.95874             5.92860
     C             4.42529             6.61181             4.71175
     C             5.11939             2.74157             4.51068
     C             5.49312            -0.66920             5.24941
     C             6.77876             2.45690             5.49212
     C             1.63535             4.29771             3.91749
     C             2.99743             4.40094             4.03140
     C             6.55509             4.90936             2.47970
     C             4.18532             3.79518             4.25321
     C             7.41219             5.76439            -0.80139
     H             6.86019             6.05963            -1.53140
     C             6.86480             4.47103             3.83555
     H             8.25946             4.08567             1.61863
     C             7.70160             3.04086             4.33680
     H             8.57193             3.83469             4.48938
     C             7.96648             1.55239             4.89926
     H             7.77693             0.75546             5.62653
           70
 Energy:   -410.0114102864583    
     C             4.29730             3.62493            -0.03280
     C             2.86402             3.30694             0.14862
     C             2.12037             4.37482             0.73050
     C             2.86980             5.87856             0.54378
     C             4.20674             4.97045             0.17576
     C             5.95192             1.27647             2.17140
     C             4.77465             1.64291             1.30592
     C             5.25612             2.75157             0.44536
     C             6.64575             3.19278             0.63833
     C             6.82357             1.70978             1.25904
     C             1.10402             0.85857             2.70814
     C             1.48750             1.92928             1.73228
     C             2.60404             1.87490             0.69172
     C             3.50825             1.04522             1.14863
     C             3.17042            -0.03780             1.91671
     C            -0.08480             4.85246             3.98238
     C             0.58503             5.39120             2.57933
     C             0.78208             4.29795             1.55502
     C             0.66000             3.06729             2.27768
     C             0.31652             3.26153             3.63878
     C             3.53351             7.29184             3.68636
     C             3.93471             7.18775             2.32509
     C             2.71806             6.78163             1.75036
     C             1.53348             6.62139             2.78770
     C             2.03211             6.77847             4.07624
     C             7.26112             4.39804             1.33814
     C             7.54308             5.42470             0.38858
     C             5.07965             6.02996             0.22843
     C             5.04385             6.59467             1.66845
     C             6.01684             6.10072             2.58305
     C             4.52379             0.97579             6.42819
     C             3.27704             1.86959             6.59654
     C             3.40810             3.34054             6.83954
     C             4.92682             3.35175             6.13796
     C             5.60824             2.00690             6.27520
     C             3.13049            -0.38777             3.32232
     C             3.13436            -0.11381             4.72730
     C             4.07406            -0.15628             5.69480
     C             6.17968             0.30180             4.54622
     C             6.09075             1.54078             3.65506
     C             0.13153             2.09521             4.59552
     C             0.77369             2.68278             5.72908
     C             1.96599             1.67965             6.03642
     C             1.80470             0.64925             5.04234
     C             0.55856             0.95645             4.00445
     C             1.47441             6.16495             5.51286
     C             2.85900             5.65414             6.28038
     C             2.47186             4.31583             6.69389
     C             0.88955             3.95248             6.40664
     C             0.41009             5.01021             5.61876
     C             5.66250             6.22802             4.18847
     C             6.04089             4.97536             4.93420
     C             5.18883             4.88208             6.19064
     C             4.26950             6.05678             6.13360
     C             4.54292             6.63925             4.65498
     C             5.18786             2.70891             4.43951
     C             5.42233            -0.58146             5.38271
     C             6.89551             2.17572             5.51384
     C             1.53114             4.15348             3.99911
     C             2.92609             4.39263             3.97046
     C             6.65138             4.80684             2.73298
     C             4.17185             3.90324             4.29335
     C             7.61995             5.90160            -0.82908
     H             6.90886             6.14638            -1.53087
     C             6.81969             4.19364             4.05918
     H             8.07572             3.82529             1.74855
     C             7.71590             3.04396             4.22205
     H             8.73677             3.29502             3.85022
     C             7.99281             1.43926             4.89227
     H             7.96462             0.18648             4.94264
           70
 Energy:   -408.8628507480383    
     C             4.19928             3.57475            -0.25372
     C             2.87309             3.16681             0.10080
     C             1.89530             4.40569             0.72735
     C             2.82350             5.57368             0.75387
     C             4.29314             4.95384             0.15796
     C             5.92156             1.19320             2.12183
     C             4.92062             1.28236             0.92085
     C             5.22832             2.85304             0.46749
     C             6.68745             3.14994             0.73479
     C             7.20792             1.90025             1.16700
     C             1.03262             0.91770             2.56035
     C             1.17605             2.00562             1.74956
     C             2.33718             2.01066             0.74114
     C             3.52597             0.92023             1.17531
     C             3.27907            -0.32735             1.99818
     C            -0.05883             4.75817             3.93051
     C             0.51500             5.52102             2.54208
     C             0.75110             4.44271             1.54942
     C             0.79390             3.19053             2.19806
     C             0.36386             3.21487             3.70872
     C             3.35815             7.16276             3.94617
     C             3.68106             7.41076             2.41088
     C             2.47146             6.84667             1.62913
     C             1.47921             6.50594             2.59427
     C             1.87914             7.23678             4.12691
     C             7.43013             4.25376             1.50604
     C             7.63903             5.42018             0.31541
     C             5.05989             6.16399             0.44267
     C             5.11608             6.78253             1.78177
     C             5.96504             5.98779             2.81235
     C             4.30102             0.99040             6.43368
     C             3.24112             1.82188             6.72629
     C             3.70255             3.12482             6.68002
     C             4.84287             3.47696             6.04307
     C             5.65222             2.02721             6.09641
     C             3.25571            -0.58537             3.28513
     C             3.07370             0.10599             4.51334
     C             4.11322            -0.28831             5.58464
     C             6.34294             0.41789             4.73217
     C             5.86928             1.48338             3.81886
     C             0.13766             2.25054             4.68130
     C             1.00231             2.49047             5.97662
     C             1.94135             1.52953             6.20153
     C             1.84785             0.54262             4.95196
     C             0.71090             0.96256             3.98204
     C             1.72878             6.30889             5.45450
     C             2.68428             5.57717             6.11735
     C             2.55166             4.22093             6.68283
     C             1.18864             3.91436             6.37043
     C             0.43477             5.25340             5.48764
     C             5.86591             6.24774             4.20258
     C             6.08467             4.96634             4.92061
     C             5.26525             4.89573             6.04789
     C             4.02002             6.04897             6.07543
     C             4.39501             6.93080             4.88567
     C             5.13300             2.81375             4.32211
     C             5.49490            -0.47571             5.29479
     C             6.97986             1.94710             5.69136
     C             1.53958             4.27397             4.12626
     C             2.75369             4.24709             3.99635
     C             6.90211             4.57624             2.84398
     C             4.11781             3.90955             4.20824
     C             7.72755             6.08530            -0.82202
     H             7.65683             6.41354            -1.92440
     C             6.74978             3.98459             4.06444
     H             8.42948             3.94275             1.67279
     C             7.74464             2.80510             4.38390
     H             8.41627             2.43022             3.31191
     C             8.08331             1.24786             4.75168
     H             8.87445             0.72792             3.99246
           70
 Energy:   -405.1941005904537    
     C             4.03973             3.51697            -0.17860
     C             2.52020             3.12067             0.16178
     C             1.83925             4.47110             0.48882
     C             2.88205             5.37137             0.92398
     C             4.09971             5.27168             0.13073
     C             6.11240             1.25173             2.12131
     C             5.02559             1.23557             0.78334
     C             5.31938             2.68579             0.35293
     C             6.60122             3.07335             0.88228
     C             7.32164             1.83956             1.36750
     C             0.83604             0.89291             2.55864
     C             1.07101             1.97599             1.56169
     C             2.28955             1.87278             0.93537
     C             3.43127             0.78366             1.10921
     C             3.39900            -0.41687             1.90174
     C             0.04939             5.01573             3.97735
     C             0.39330             5.51940             2.60078
     C             0.87620             4.57010             1.63428
     C             0.61575             3.28131             2.11720
     C             0.25186             3.37410             3.61838
     C             3.30246             7.31897             4.05534
     C             3.59394             7.37003             2.40960
     C             2.39736             6.65895             1.50042
     C             1.31763             6.68197             2.77139
     C             1.70615             7.22019             4.07045
     C             7.68693             4.21689             1.43245
     C             7.71650             5.42233             0.27382
     C             5.15889             6.42288             0.71602
     C             5.10368             6.89181             2.08274
     C             5.99526             5.89354             2.91991
     C             4.43262             1.09409             6.37807
     C             3.11266             1.76226             6.85077
     C             3.45297             3.21232             6.65356
     C             5.03575             3.37635             6.00934
     C             5.53730             1.93288             5.96879
     C             3.34488            -0.74231             3.26122
     C             3.06606            -0.06055             4.41280
     C             4.16514            -0.14991             5.45234
     C             6.61251             0.50884             4.62234
     C             5.58581             1.52303             3.68656
     C             0.29562             2.14529             4.86144
     C             0.89120             2.47666             6.13838
     C             1.90730             1.20585             6.20957
     C             1.92097             0.56713             4.99948
     C             0.91898             0.92774             4.12094
     C             1.60079             6.37398             5.20449
     C             2.76791             5.54287             6.13816
     C             2.64166             4.18252             6.60796
     C             1.23419             4.01771             6.07605
     C             0.58898             5.34558             5.52054
     C             5.64591             6.35847             4.36823
     C             6.23065             5.13148             4.95368
     C             5.13230             4.85608             5.89123
     C             4.13076             5.90568             5.86116
     C             4.47901             6.99209             4.97808
     C             5.07646             2.85871             4.28199
     C             5.61677            -0.52600             5.15145
     C             7.12440             1.92889             5.85797
     C             1.64915             4.34827             4.09352
     C             2.84795             4.09956             4.10901
     C             6.85863             4.68893             2.75705
     C             4.11806             3.78568             3.95025
     C             7.79624             6.17687            -0.75623
     H             8.62152             6.64962            -1.55450
     C             6.82298             3.90434             4.16939
     H             8.75166             4.14623             1.36857
     C             7.63845             2.52372             4.52007
     H             8.16091             2.49876             3.25425
     C             7.92681             0.88279             4.68166
     H             8.84236             1.12298             4.27691
           70
 Energy:   -406.6118142625039    
     C             3.99007             3.78882             0.13376
     C             2.41813             3.15748             0.22932
     C             1.79806             4.46142             0.49694
     C             2.79640             5.49916             0.82863
     C             4.16007             5.33561             0.22082
     C             5.95606             1.28402             2.00059
     C             4.98168             1.33355             1.06303
     C             5.24942             2.61285             0.18812
     C             6.69067             3.07673             0.97560
     C             7.35859             1.74356             1.70119
     C             0.62042             0.91774             2.75401
     C             0.91878             1.82536             1.72284
     C             2.46847             1.73442             0.92199
     C             3.54228             0.79795             0.99803
     C             3.46968            -0.41708             1.80553
     C             0.11828             5.07492             4.16331
     C             0.46742             5.69942             2.58252
     C             0.86778             4.57139             1.60158
     C             0.34455             3.23827             2.12877
     C             0.25063             3.41866             3.85596
     C             3.26405             7.66542             3.88713
     C             3.65034             7.17850             2.56551
     C             2.49264             6.51868             1.83127
     C             1.17982             6.88852             2.65912
     C             1.87467             7.06877             4.04785
     C             7.63152             4.37320             1.31463
     C             7.73340             5.35135             0.26861
     C             5.10230             6.46344             0.76320
     C             4.99864             6.83453             2.30753
     C             5.98128             6.02518             2.99274
     C             4.46503             1.00939             6.25617
     C             3.20509             1.70595             6.81638
     C             3.48028             3.12128             6.66009
     C             4.87783             3.25102             5.97866
     C             5.67043             1.86921             6.09047
     C             3.37771            -0.83503             3.10356
     C             3.25776            -0.37818             4.65285
     C             4.44294             0.07991             5.28394
     C             6.23133             0.45626             4.21441
     C             5.63048             1.57245             3.51111
     C             0.41590             2.23178             4.54743
     C             0.77974             2.54687             6.09402
     C             1.84042             1.29722             6.36859
     C             2.08087             0.42665             4.94880
     C             0.93160             1.06726             4.07562
     C             1.60871             6.34075             5.31372
     C             2.88264             5.76414             6.02078
     C             2.42536             4.38648             6.39947
     C             1.15108             4.00227             6.00976
     C             0.61329             5.23016             5.52490
     C             5.66482             6.47553             4.29886
     C             6.37037             5.14840             5.07228
     C             5.16668             4.72037             5.73544
     C             4.21037             5.80827             5.79565
     C             4.37303             6.98447             4.91669
     C             5.15784             2.65663             4.32961
     C             5.66890            -0.52542             4.96964
     C             7.14044             1.77307             5.94429
     C             1.54091             4.24633             3.88727
     C             2.96202             4.04467             4.16940
     C             6.81164             4.80728             2.73369
     C             4.19149             3.65595             3.63467
     C             7.98972             6.25890            -0.64922
     H             8.80850             7.11201            -1.04727
     C             6.95187             4.11288             4.19077
     H             8.60594             3.80840             1.62454
     C             7.51032             2.53924             4.41778
     H             8.66001             2.28123             3.72670
     C             7.90706             0.78193             4.87002
     H             9.08087             0.35970             5.06055
           70
 Energy:   -406.5700237675395    
     C             4.07292             3.79415             0.37457
     C             2.76347             3.20082             0.36070
     C             1.77712             4.51217             0.77035
     C             2.60498             5.75696             0.66353
     C             4.25184             5.33162             0.44850
     C             5.74451             1.30073             2.10306
     C             4.78349             1.66178             1.08375
     C             5.19475             2.88316             0.36970
     C             6.67102             2.93981             0.90008
     C             7.31421             1.84216             1.84152
     C             0.49704             0.77430             2.78798
     C             0.98130             1.84676             1.85592
     C             2.23902             1.78632             0.93496
     C             3.66297             0.80123             1.03999
     C             3.46966            -0.37860             1.77512
     C             0.10989             4.95904             3.92686
     C             0.42275             5.64958             2.65507
     C             0.57477             4.46224             1.66379
     C             0.27353             3.16315             2.21611
     C             0.12134             3.48353             3.65565
     C             3.33543             7.72679             3.92652
     C             3.72494             7.03065             2.70752
     C             2.63055             6.51969             2.15205
     C             1.32306             6.91357             2.51039
     C             2.00454             7.07771             4.15728
     C             7.28048             4.40837             1.47937
     C             7.77866             5.43446             0.15335
     C             4.96595             6.37593             0.80683
     C             4.93018             6.62439             2.04716
     C             5.97559             6.19342             2.90764
     C             4.47190             1.03861             6.23159
     C             3.30405             1.70762             6.68119
     C             3.45233             3.20035             6.60388
     C             4.75121             3.15218             5.76361
     C             5.81170             1.89670             6.40809
     C             3.38695            -0.84315             3.12898
     C             3.33532            -0.58606             4.60603
     C             4.46144            -0.08672             5.29279
     C             6.39487             0.42345             3.93994
     C             5.77718             1.58357             3.47946
     C             0.46160             2.27963             4.65348
     C             0.85864             2.51292             5.82801
     C             1.82339             1.48260             6.27829
     C             1.97274             0.41542             5.04738
     C             1.05202             1.06853             4.11299
     C             1.72551             6.35018             5.44093
     C             2.77294             5.68017             6.04255
     C             2.52130             4.29397             6.33709
     C             0.99254             3.95034             6.21310
     C             0.56341             5.22109             5.44528
     C             5.93620             6.40286             4.45622
     C             6.42743             5.14252             5.06517
     C             5.23448             4.64097             5.71846
     C             4.21075             5.89657             5.70423
     C             4.35078             7.08762             4.71242
     C             5.12188             2.48117             4.35624
     C             5.73217            -0.49988             4.67253
     C             6.92814             1.74991             5.72133
     C             1.71516             4.26139             3.79009
     C             2.97201             4.01956             3.99334
     C             6.85697             4.93011             2.78133
     C             4.14903             3.50905             3.50531
     C             8.22273             6.29271            -0.45030
     H             8.32622             7.21774            -0.91730
     C             7.20137             4.18698             4.04311
     H             8.25786             3.77132             1.74953
     C             7.40373             2.67321             4.49357
     H             8.65674             2.39788             4.09115
     C             7.73692             0.81912             4.90730
     H             7.63084            -0.16006             5.36222
           70
 Energy:   -405.2081035055132    
     C             4.22929             3.91110             0.44346
     C             2.82245             3.33054             0.72277
     C             1.77835             4.44815             0.95775
     C             2.63881             5.83658             0.78262
     C             3.85608             5.18078             0.46575
     C             5.74999             1.45897             1.99665
     C             4.72597             1.83506             1.07092
     C             5.28470             3.11657             0.79948
     C             6.60535             3.01081             0.85379
     C             7.03638             1.91258             1.76674
     C             0.65694             0.71105             2.72108
     C             0.99623             1.87839             1.87392
     C             2.17812             1.90965             0.99832
     C             3.27904             0.98361             1.13543
     C             3.48034            -0.35086             1.91794
     C             0.20186             4.95701             3.91786
     C             0.36123             5.66683             2.47992
     C             0.46633             4.43738             1.60820
     C             0.32638             3.03456             2.09295
     C             0.21198             3.26245             3.60245
     C             3.45569             7.56305             4.11020
     C             3.86235             7.00237             2.72224
     C             2.65805             6.52055             1.91018
     C             1.39088             6.63818             2.93066
     C             1.89597             7.21914             4.13567
     C             7.09465             4.45561             1.33193
     C             7.70318             5.32186             0.36252
     C             4.99931             6.23477             0.61723
     C             5.08821             6.63009             2.16397
     C             6.13190             6.23906             2.98987
     C             4.56221             1.00205             6.22370
     C             3.17154             1.87272             6.53067
     C             3.47452             3.18871             6.44983
     C             4.90828             3.07503             5.73207
     C             5.57535             2.06534             6.57134
     C             3.38708            -0.79626             3.16679
     C             2.99928            -0.41580             4.52469
     C             4.43766            -0.32643             5.40279
     C             6.86582             0.39113             3.80290
     C             5.80485             1.53767             3.64886
     C             0.40082             2.23804             4.50992
     C             1.06122             2.58406             5.92581
     C             2.02547             1.45202             6.03983
     C             1.98888             0.33767             5.15322
     C             0.96161             0.94434             4.11807
     C             1.59129             6.29286             5.35106
     C             2.92658             5.45709             6.13096
     C             2.48499             4.14702             6.50052
     C             1.01738             4.01426             6.31523
     C             0.58466             5.28938             5.34653
     C             5.97770             6.43367             4.46800
     C             6.46786             5.05564             4.98026
     C             5.18438             4.72304             5.74823
     C             4.21929             5.86312             5.61510
     C             4.80900             7.04104             4.70462
     C             4.91039             2.49699             4.18422
     C             5.65728            -0.55783             4.40536
     C             6.79247             1.99702             5.51509
     C             1.63732             4.23377             3.79589
     C             2.94880             4.00677             3.65596
     C             6.86791             5.12016             2.80976
     C             4.12560             3.27523             3.58553
     C             8.41373             6.36377            -0.26184
     H             8.19984             7.17560            -0.86256
     C             7.23521             4.24667             4.02613
     H             8.15176             3.91103             1.37001
     C             7.41275             3.06284             4.55843
     H             8.15119             2.12836             4.25531
     C             7.60266             0.58737             4.94291
     H             7.83148            -0.18835             5.71784
           70
 Energy:   -407.0220128239583    
     C             3.99753             3.93278             0.55995
     C             2.65459             3.39472             1.05548
     C             1.84618             4.47725             0.96515
     C             2.48139             5.57390             0.95539
     C             3.87205             5.50750             0.23283
     C             5.68039             1.42054             2.23196
     C             4.44385             1.63888             1.20332
     C             5.12342             3.11855             0.91718
     C             6.63345             3.29861             0.97407
     C             6.93824             2.03966             1.44123
     C             0.99535             0.74959             2.66446
     C             1.00279             1.75377             1.65509
     C             2.23373             2.15680             1.16264
     C             3.21956             1.13113             1.31307
     C             3.39578            -0.12766             1.96006
     C             0.11698             4.85249             3.94878
     C             0.25849             5.60671             2.43008
     C             0.60035             4.42729             1.45860
     C             0.25869             3.05515             2.02888
     C             0.35608             3.30451             3.62323
     C             3.55625             7.31737             4.11017
     C             3.82043             7.04670             2.64345
     C             2.52757             6.80592             2.00496
     C             1.56606             6.35071             3.03688
     C             1.93229             7.18678             4.38768
     C             7.23764             4.48769             1.39414
     C             7.75080             5.48387             0.40146
     C             4.98601             6.05235             0.69796
     C             5.32138             6.69191             2.04156
     C             6.37126             6.30180             2.93375
     C             4.43023             0.86147             6.35624
     C             3.38769             1.71564             6.41484
     C             3.59142             3.19578             6.28902
     C             4.97288             3.37152             5.69254
     C             5.65398             1.96861             6.47293
     C             3.25979            -0.71502             3.26285
     C             3.05331            -0.31162             4.60834
     C             4.42686            -0.35609             5.25302
     C             6.86068             0.22742             3.74465
     C             5.70811             1.40634             3.57201
     C             0.41437             2.03549             4.67861
     C             1.01261             2.51537             5.81334
     C             2.04272             1.43123             5.93534
     C             1.75052             0.38335             4.94764
     C             0.73418             0.72572             4.09828
     C             1.76225             6.17436             5.40620
     C             2.85211             5.65321             5.92892
     C             2.50281             4.24893             6.68837
     C             1.03126             4.15554             6.16481
     C             0.66974             5.17669             5.42506
     C             6.21489             6.43546             4.41186
     C             6.31767             5.21662             5.01947
     C             5.26304             4.72545             5.64717
     C             4.26393             5.70487             5.66175
     C             4.80778             6.91561             5.06522
     C             4.95474             2.47266             4.35422
     C             5.49522            -0.55984             4.19902
     C             6.90497             2.05686             5.40459
     C             1.65046             4.12007             3.78967
     C             2.83122             4.01103             3.26055
     C             7.03327             5.01445             2.67748
     C             3.83861             3.23728             3.41114
     C             8.44771             6.35387            -0.06454
     H             8.72001             7.07446            -0.67184
     C             7.07432             4.46866             4.04304
     H             8.23395             4.21619             1.60447
     C             7.50411             3.15376             4.59867
     H             8.13045             2.66905             3.85397
     C             7.50545             0.59074             5.39408
     H             8.68409             0.71359             5.64805
           70
 Energy:   -408.9584103692766    
     C             3.80451             3.96106             0.67126
     C             2.63549             3.44062             1.06537
     C             1.73308             4.51722             0.95177
     C             2.61251             5.89811             0.98824
     C             3.94489             5.52788             0.11059
     C             5.74332             1.41651             2.03273
     C             4.62443             1.71737             1.39212
     C             4.84399             3.05237             0.82671
     C             6.31475             3.47180             1.01899
     C             6.77707             1.95274             1.27945
     C             1.16397             0.74677             2.60683
     C             0.86096             1.85298             1.56649
     C             2.32680             2.08455             1.34020
     C             3.27818             1.18241             1.49480
     C             3.08388            -0.02505             2.12241
     C             0.06524             4.79487             3.98785
     C             0.31657             5.38198             2.55251
     C             0.41656             4.35294             1.56460
     C             0.17491             3.03317             2.06317
     C             0.25695             3.07547             3.56112
     C             3.73885             7.12665             4.07557
     C             3.93218             7.18974             2.59167
     C             2.48468             6.72668             2.00894
     C             1.52054             6.39571             3.04780
     C             2.18715             6.91468             4.40626
     C             7.72112             4.44682             1.49016
     C             7.75062             5.68381             0.36998
     C             5.17542             6.10676             0.79719
     C             5.27643             6.77418             1.98170
     C             6.53119             6.41656             2.73718
     C             4.66772             0.66383             6.33845
     C             3.27563             1.72589             6.29583
     C             3.57934             3.14729             6.35558
     C             4.99497             3.27398             5.76830
     C             5.71410             1.91976             6.03066
     C             3.06823            -0.58988             3.20896
     C             3.11780            -0.35193             4.60056
     C             4.42315            -0.12051             5.11928
     C             6.73040             0.14072             4.43498
     C             5.65681             1.30099             3.74606
     C             0.19459             2.03823             4.52251
     C             1.00438             2.48923             5.84730
     C             1.96540             1.40790             5.93598
     C             1.85728             0.33320             4.92469
     C             0.53462             0.66241             3.94383
     C             1.70852             6.17072             5.51828
     C             2.98473             5.50056             6.05610
     C             2.71641             4.35216             6.60217
     C             1.18625             3.77514             6.16284
     C             0.71031             5.25454             5.30282
     C             6.16727             6.82226             4.40293
     C             6.47471             5.28884             4.98431
     C             5.31653             4.80128             5.63213
     C             4.29848             5.66797             5.83654
     C             4.64956             6.85827             5.12015
     C             4.97238             2.50178             4.26577
     C             5.40734            -0.51351             4.15315
     C             6.98761             2.04539             5.50219
     C             1.62456             4.18862             3.74861
     C             2.71472             4.02752             2.93538
     C             7.08951             5.03312             2.90613
     C             3.89665             3.01298             3.35212
     C             8.54134             6.53012            -0.04672
     H             9.45903             7.04345            -0.31871
     C             7.00699             4.40229             4.12634
     H             8.57343             4.00188             1.89945
     C             7.55211             3.10082             4.46737
     H             8.39096             3.14074             3.94608
     C             7.40040             0.72524             5.28001
     H             8.62172             0.88080             5.12592
           70
 Energy:   -410.7007281478768    
     C             3.87594             4.06750             0.55514
     C             2.44166             3.48048             0.79348
     C             1.58310             4.78276             0.93142
     C             2.66800             5.92439             0.64243
     C             4.02823             5.39473             0.37797
     C             5.95777             1.15191             2.23389
     C             4.63632             1.88116             1.47514
     C             4.91182             3.07091             0.75994
     C             6.43406             3.65646             1.10247
     C             6.71049             2.09608             1.17273
     C             1.02977             0.73727             2.47893
     C             0.86877             1.87198             1.67235
     C             2.22485             2.16425             1.34955
     C             3.45221             1.26677             1.64208
     C             2.75967             0.05945             2.06520
     C            -0.03371             4.61424             4.10390
     C             0.44614             5.42433             2.78175
     C             0.27033             4.35784             1.65736
     C             0.06552             2.95444             2.06878
     C             0.13323             3.22512             3.52923
     C             3.63529             7.10096             3.96803
     C             3.99044             7.25872             2.61815
     C             2.75179             6.71841             2.07551
     C             1.38628             6.55751             3.02882
     C             2.40922             6.61952             4.14025
     C             7.66493             4.49453             1.38811
     C             7.88558             5.65003             0.55767
     C             5.24218             6.14222             0.57098
     C             5.27257             6.87910             2.09348
     C             6.41775             6.57820             3.04486
     C             4.67044             0.98391             6.06089
     C             3.37700             1.64007             6.36472
     C             3.64211             3.02902             6.52809
     C             4.87909             3.20145             5.68445
     C             5.71468             1.89691             5.74371
     C             2.90753            -0.73007             3.26423
     C             2.99079            -0.30575             4.59870
     C             4.25380            -0.07672             5.07061
     C             6.56925             0.11991             4.90937
     C             5.69294             1.06519             3.60964
     C             0.05285             2.00643             4.48656
     C             0.85724             2.27496             5.69665
     C             1.97918             1.31271             5.94764
     C             1.82152             0.30800             5.02151
     C             0.74691             0.69328             3.92884
     C             1.93658             6.15883             5.63193
     C             3.03979             5.47408             6.35251
     C             2.64445             3.87510             6.42993
     C             1.38813             3.84955             6.07043
     C             0.78077             4.85652             5.48630
     C             6.12629             6.93566             4.29471
     C             6.47042             5.49850             5.00801
     C             5.43886             4.74408             5.80678
     C             4.45213             5.88750             5.94244
     C             4.74190             6.88870             4.88989
     C             4.86589             2.55429             4.07486
     C             5.23201            -0.36564             4.08823
     C             7.13531             2.17029             5.50491
     C             1.62825             4.04842             3.59553
     C             2.84368             3.82351             3.02830
     C             7.21241             5.12949             2.82807
     C             3.85287             3.01251             3.30926
     C             8.61650             6.66467            -0.04145
     H             9.81748             6.93067             0.22316
     C             7.10319             4.30168             4.11116
     H             8.50281             3.72970             1.29419
     C             7.52838             3.02052             4.48114
     H             8.55232             2.59905             4.42956
     C             7.82123             0.91709             5.25552
     H             8.66832             0.01590             5.29709
           70
 Energy:   -407.9638923656588    
     C             3.86275             3.84430             0.39056
     C             2.42387             3.73651             0.52579
     C             1.48583             4.86469             0.77739
     C             2.62670             5.96446             0.62452
     C             4.04812             5.37269             0.58982
     C             6.04672             1.11991             2.18842
     C             4.84097             1.82151             1.56397
     C             5.11961             3.29500             0.80705
     C             6.51496             3.64139             1.06497
     C             6.73582             2.16964             1.20817
     C             1.05684             0.50458             2.46957
     C             0.93939             1.88387             1.76470
     C             2.21049             2.42002             1.15761
     C             3.27029             1.40601             1.70622
     C             2.28836             0.16738             2.19545
     C             0.24104             4.65128             4.29586
     C             0.36122             5.63942             2.98518
     C             0.35257             4.58791             1.66384
     C            -0.04930             2.97987             2.00494
     C            -0.03142             3.13717             3.58763
     C             3.69454             7.16741             3.96751
     C             4.03694             7.22856             2.52712
     C             2.78351             6.75688             1.87731
     C             1.48767             6.57040             2.84469
     C             2.30608             6.38362             4.20747
     C             7.41875             4.65164             1.44344
     C             8.16909             5.78240             0.59110
     C             5.19296             6.30471             0.66116
     C             5.38648             6.87434             1.91886
     C             6.35891             6.54283             2.89900
     C             4.43269             1.13442             5.62006
     C             3.35947             1.52577             6.59195
     C             3.81549             2.85142             6.58072
     C             4.90395             3.37398             5.38166
     C             5.85079             1.98537             5.73880
     C             2.77796            -0.89307             3.12708
     C             2.72123            -0.40916             4.54269
     C             4.10907            -0.11595             5.12187
     C             6.56121             0.28129             4.98144
     C             5.68483             1.13941             3.76435
     C             0.14908             1.89145             4.43072
     C             0.83902             2.25731             5.69077
     C             2.01365             1.31381             6.09292
     C             1.65209             0.27522             5.01064
     C             0.94055             0.84125             3.95313
     C             2.01925             5.84812             5.44306
     C             3.17957             5.41991             6.54914
     C             2.74729             3.86731             6.44419
     C             1.26910             3.37955             5.96272
     C             0.91721             4.95702             5.53801
     C             6.15520             6.73439             4.61635
     C             6.48951             5.44408             5.03968
     C             5.49080             4.75541             5.96914
     C             4.52997             5.95911             6.04187
     C             4.69983             6.97547             4.79629
     C             4.90292             2.33127             4.01782
     C             5.21552            -0.18530             4.21860
     C             7.20387             2.06560             5.43958
     C             1.47482             3.83981             3.53681
     C             2.71430             3.68528             3.24862
     C             7.28494             5.27821             2.71714
     C             4.00570             2.96132             3.22400
     C             8.67863             6.62219             0.11905
     H             9.59524             7.42526             0.01615
     C             7.25278             4.49106             4.02550
     H             8.44963             4.05647             1.07378
     C             7.65431             3.16714             4.52763
     H             8.43100             2.92110             3.61868
     C             8.08532             0.76893             5.33894
     H             9.17997             0.37951             5.65206
           70
 Energy:   -408.3003760068391    
     C             3.93939             4.05888             0.29010
     C             2.47744             3.69087             0.35613
     C             1.51695             4.91751             0.57446
     C             2.63321             5.88245             0.75295
     C             3.97204             5.39114             0.46311
     C             6.07087             1.31118             2.14571
     C             4.70601             1.82304             1.53273
     C             4.98395             3.19772             0.94079
     C             6.44091             3.50203             0.97479
     C             7.07078             2.05494             1.40114
     C             0.85651             0.77038             2.54989
     C             0.82570             2.05913             1.69414
     C             2.15313             2.52602             1.04930
     C             3.09195             1.49954             1.65614
     C             2.40133             0.11272             2.23546
     C             0.37600             4.64452             4.17299
     C             0.29360             5.63177             2.93542
     C             0.42346             4.75128             1.79651
     C            -0.00350             3.25593             2.02312
     C            -0.20867             3.19001             3.75027
     C             3.63776             7.13360             3.92533
     C             4.00262             7.17618             2.42391
     C             2.53605             6.94239             1.75054
     C             1.75790             6.46966             2.85626
     C             2.34132             6.49902             4.18321
     C             7.48481             4.76397             1.47701
     C             8.24506             5.85133             0.57957
     C             5.03427             6.26330             0.68019
     C             5.33869             6.99293             1.98296
     C             6.42098             6.51041             2.97445
     C             4.31101             1.27750             5.61046
     C             3.21716             1.48358             6.68169
     C             3.89877             3.00966             6.46266
     C             5.07159             3.37313             5.40053
     C             5.76009             2.07978             5.81542
     C             2.65959            -0.92081             3.04762
     C             2.69194            -0.77747             4.45160
     C             3.92523            -0.29086             4.93716
     C             6.76261             0.31349             4.77516
     C             5.90732             1.30185             3.75427
     C             0.25896             1.96697             4.48419
     C             0.85684             2.00019             5.75702
     C             1.86226             1.08275             6.25227
     C             1.68091             0.27112             4.98952
     C             0.75963             0.79764             3.88767
     C             2.26066             5.55695             5.40831
     C             3.21672             5.40177             6.39305
     C             2.79830             3.97504             6.61089
     C             1.33709             3.63673             6.10856
     C             0.93523             4.86118             5.60356
     C             6.12975             6.56234             4.38339
     C             6.64981             5.11111             5.18063
     C             5.50623             4.84375             5.87814
     C             4.48298             5.86586             6.14989
     C             4.69313             6.95353             5.17553
     C             4.87015             2.44381             4.02986
     C             5.31696            -0.30410             4.53293
     C             7.41381             2.09818             5.28944
     C             1.30412             3.66142             3.40594
     C             2.64062             3.49007             3.41404
     C             7.15830             5.42371             2.88916
     C             4.00943             2.91725             3.06765
     C             8.98071             6.87175             0.15016
     H             9.03228             7.90524            -0.55440
     C             7.40550             4.76623             4.04422
     H             8.08790             4.01457             2.10891
     C             7.82212             3.35079             4.44545
     H             8.17802             2.74661             3.33403
     C             8.03349             0.60849             5.44849
     H             8.99770             0.84082             5.66919
           70
 Energy:   -408.2641668095987    
     C             3.94765             4.05720             0.28459
     C             2.52274             3.57545             0.25873
     C             1.57106             4.83056             0.57756
     C             2.58956             5.93345             0.76466
     C             3.86026             5.59829             0.21086
     C             5.91882             1.50925             2.22137
     C             4.40110             1.80301             1.53664
     C             4.93281             3.07751             0.94449
     C             6.57284             3.39778             1.04825
     C             7.31824             2.12324             1.58352
     C             0.97070             1.09574             2.35284
     C             0.67507             2.33811             1.55696
     C             2.03824             2.34779             1.05197
     C             3.10158             1.45286             1.52221
     C             2.40168             0.35396             2.11386
     C             0.17651             4.74185             4.12161
     C             0.61789             5.59880             2.84142
     C             0.48367             4.72436             1.62328
     C            -0.08475             3.50585             2.13537
     C            -0.26262             3.33360             3.68964
     C             3.79886             7.06667             4.03122
     C             3.77487             7.27226             2.55862
     C             2.48536             7.00210             1.84003
     C             1.60589             6.37647             3.04478
     C             2.47383             6.53895             4.19879
     C             7.57964             4.73869             1.34386
     C             8.34797             5.91675             0.61367
     C             5.04341             6.22981             0.69103
     C             5.28421             6.98274             2.08509
     C             6.23845             6.66397             3.00788
     C             4.38855             1.04479             5.72599
     C             3.14108             1.58884             6.57546
     C             3.70921             3.01599             6.36476
     C             4.98016             3.37728             5.57366
     C             5.88666             1.85463             5.73298
     C             2.58375            -1.06895             2.98787
     C             2.68323            -0.89132             4.46192
     C             4.03116            -0.18558             4.90133
     C             7.02255             0.19766             4.51658
     C             5.85885             1.16138             3.74050
     C             0.21789             2.02992             4.69285
     C             0.96347             2.36818             6.00614
     C             1.78204             0.79002             6.32897
     C             1.67099            -0.00423             4.81000
     C             0.55460             0.69773             4.04927
     C             2.25152             5.74276             5.18205
     C             3.21782             5.24185             6.28880
     C             2.85196             4.00833             6.80087
     C             1.46533             3.56534             6.46539
     C             0.94483             4.71638             5.35376
     C             5.91536             6.43045             4.44916
     C             6.69940             5.41524             5.21697
     C             5.44649             4.70172             5.80772
     C             4.56989             5.70908             6.17795
     C             4.79461             6.86049             5.23851
     C             5.00599             2.64063             4.03020
     C             5.51865            -0.07725             4.55554
     C             7.32111             2.27771             5.27236
     C             1.43174             3.44199             3.40018
     C             2.70559             3.16185             3.43741
     C             7.16798             5.42543             2.84910
     C             3.85321             2.95092             3.04682
     C             9.04492             6.93927             0.20494
     H             8.88335             7.76266            -0.53777
     C             7.67789             4.65031             4.19408
     H             8.01316             3.85098             2.08124
     C             7.94384             3.31729             4.21728
     H             8.76432             2.76819             3.37334
     C             7.94599             0.71237             5.54956
     H             8.93728             0.54921             5.79412
           70
 Energy:   -400.5405613124922    
     C             3.91662             3.92306             0.27427
     C             2.45975             3.54830             0.36516
     C             1.70511             4.69646             0.69121
     C             2.39267             6.17414             0.71257
     C             3.93296             5.61810             0.10491
     C             5.75597             1.66317             2.23523
     C             4.49312             1.74419             1.51239
     C             5.04920             3.20767             0.79720
     C             6.66940             3.39856             1.13869
     C             7.18716             2.17637             1.78710
     C             1.06631             1.14750             2.62256
     C             0.56758             2.40812             1.59226
     C             2.09197             2.35789             0.85104
     C             3.00003             1.34598             1.35192
     C             2.20676             0.41293             2.19529
     C             0.03844             4.90773             4.08878
     C             0.75456             5.31776             2.87862
     C             0.52529             4.76137             1.50925
     C            -0.14223             3.52823             2.00820
     C            -0.16542             3.32667             3.66081
     C             3.84973             7.13928             4.19649
     C             3.84649             7.41102             2.69345
     C             2.51658             6.80474             2.03158
     C             1.70870             6.66764             3.06028
     C             2.51259             6.58677             4.22476
     C             7.59145             4.68596             1.31318
     C             8.46135             5.94750             0.68289
     C             5.11083             6.36132             0.79188
     C             4.96290             6.93124             1.99763
     C             6.16848             6.51753             3.09004
     C             4.46264             0.92020             6.07027
     C             3.19840             1.55159             6.28235
     C             3.55787             2.88621             6.41375
     C             4.88703             3.00779             5.65530
     C             5.77688             1.77287             5.61134
     C             2.55427            -0.94454             2.83558
     C             2.83044            -0.72526             4.30456
     C             4.27987            -0.15664             4.92111
     C             7.11397             0.21385             4.23709
     C             5.82620             1.34446             3.73704
     C             0.15310             2.18356             4.83804
     C             1.15429             2.22824             6.24019
     C             1.68489             0.94630             6.07713
     C             1.39962            -0.13083             4.97784
     C             0.59985             0.90900             3.83768
     C             2.04198             5.67547             5.36984
     C             3.13319             5.27334             6.19074
     C             2.82407             3.96223             6.88937
     C             1.43353             3.76748             6.53971
     C             1.16051             4.69034             5.19872
     C             5.99984             6.53780             4.53552
     C             6.76661             5.46049             5.10762
     C             5.67564             4.56616             5.81134
     C             4.48741             5.65465             6.09771
     C             4.67148             6.71703             5.14514
     C             5.19824             2.67774             3.94643
     C             5.67075            -0.07942             4.41208
     C             7.27922             2.27410             5.22864
     C             1.32121             3.19061             3.58913
     C             2.62267             2.90801             3.43908
     C             7.28507             5.40299             2.76907
     C             4.18542             2.93603             3.29478
     C             8.90356             6.84988             0.25245
     H             9.31911             7.62377            -0.16425
     C             7.65548             4.72396             4.24652
     H             8.77822             4.65797             2.05562
     C             8.02386             3.05244             4.19622
     H             9.01615             2.96529             3.63442
     C             7.91194             1.04484             5.50872
     H             8.47574             0.26184             6.01749
           70
 Energy:   -407.3973634430016    
     C             3.90146             4.09392             0.18728
     C             2.56802             3.68588             0.46656
     C             1.72105             4.87483             0.76267
     C             2.56349             6.07314             0.58553
     C             3.91493             5.55137             0.24496
     C             5.73931             1.62579             2.29491
     C             4.58006             1.85789             1.31174
     C             5.18602             3.19812             0.71754
     C             6.64966             3.52146             1.14220
     C             6.81477             2.28952             1.88223
     C             0.99861             1.26250             2.65090
     C             0.77892             2.07279             1.63618
     C             1.93469             2.31207             0.73731
     C             3.00350             1.24920             1.23576
     C             2.09777             0.44643             2.12757
     C             0.20246             4.77934             4.11810
     C             0.77402             5.50889             2.91041
     C             0.54573             4.72223             1.65765
     C            -0.14114             3.43645             1.99523
     C            -0.33732             3.36964             3.67625
     C             3.54587             7.31393             4.18860
     C             3.78748             7.39845             2.72583
     C             2.74258             6.91684             1.97889
     C             1.57542             6.52209             3.12769
     C             2.26381             6.67205             4.50706
     C             7.61897             4.59199             1.54789
     C             8.37331             5.78896             0.71514
     C             4.95006             6.38058             0.64495
     C             5.10701             6.85305             2.19765
     C             6.11547             6.28303             2.96716
     C             4.50731             0.64311             6.17085
     C             3.15299             1.36035             6.08032
     C             3.58517             2.84636             6.43977
     C             4.99891             3.16964             5.61775
     C             5.81526             1.68451             5.80270
     C             2.61244            -0.58631             2.83846
     C             2.81591            -0.40957             4.26451
     C             4.39225            -0.30680             4.96309
     C             7.21984             0.54633             4.14831
     C             6.07260             1.37144             3.64289
     C             0.16988             2.30878             4.87998
     C             0.85096             2.34477             6.12385
     C             1.92197             1.03303             5.85423
     C             1.40545            -0.01021             4.90819
     C             0.66182             1.09261             4.16811
     C             2.11192             5.76624             5.42003
     C             3.12479             5.26062             6.34549
     C             2.72576             4.00052             6.78801
     C             1.21746             3.78987             6.32608
     C             0.96859             4.66977             5.27474
     C             6.20886             6.69613             4.50828
     C             6.71767             5.16214             5.16484
     C             5.61934             4.39519             5.87873
     C             4.46806             5.46697             5.90435
     C             4.78301             6.64969             5.01703
     C             5.31031             2.75027             4.21201
     C             5.60931            -0.22601             4.16567
     C             7.14311             2.27488             5.08583
     C             1.46383             2.89480             3.70466
     C             2.76923             2.70843             3.35939
     C             7.25953             5.39624             2.86345
     C             3.96756             3.04228             3.37625
     C             8.89979             7.01672             0.15862
     H             9.87272             7.66822             0.20380
     C             7.57230             4.60556             3.98023
     H             8.66627             3.76871             1.40699
     C             7.93034             3.22833             4.37239
     H             8.70523             2.69100             4.08415
     C             7.90534             0.91287             5.21443
     H             7.91341             0.64917             6.44283
           70
 Energy:   -406.9161369781615    
     C             4.10483             4.14448             0.22053
     C             2.50153             3.64739             0.53136
     C             1.61691             4.98689             0.82230
     C             2.72018             5.98065             0.81794
     C             3.98413             5.57355             0.33047
     C             5.55989             1.47278             2.14355
     C             4.50312             1.88871             1.16563
     C             5.08703             3.29285             0.56380
     C             6.41805             3.68366             1.07371
     C             6.69119             2.44961             1.79286
     C             0.89092             0.98729             2.83630
     C             0.74979             2.23901             1.57026
     C             1.99637             2.31845             0.73857
     C             3.19413             1.37975             1.08877
     C             2.15215             0.56060             1.99022
     C             0.43494             4.60856             4.02778
     C             0.48091             5.51781             2.99392
     C             0.66669             4.67296             1.86110
     C             0.07525             3.17330             2.15235
     C            -0.12945             3.34667             3.54097
     C             3.52305             7.33367             4.28178
     C             3.90718             7.30341             2.80720
     C             2.54972             6.94897             1.86825
     C             1.75187             6.51026             3.13640
     C             2.02481             6.95324             4.48250
     C             7.78455             4.67948             1.61016
     C             8.33213             5.87940             0.61468
     C             4.91766             6.46942             0.76650
     C             5.25034             6.74742             2.13070
     C             6.32910             6.17090             3.01811
     C             4.64688             0.44772             5.95004
     C             3.44585             1.42488             6.22711
     C             3.64796             2.75878             6.34238
     C             5.15496             3.10959             5.84370
     C             5.72078             1.64713             6.03411
     C             2.82657            -0.34967             2.98856
     C             2.92812            -0.24508             4.36838
     C             4.36267            -0.46487             4.85131
     C             7.11258             0.30600             4.01228
     C             5.82253             1.45604             3.72097
     C             0.02402             2.39948             4.64116
     C             0.69592             2.34800             6.00562
     C             1.79249             1.38640             5.90889
     C             1.75776             0.23950             4.84294
     C             0.61680             0.93569             4.23325
     C             1.98761             5.71810             5.56113
     C             3.22749             5.26935             6.43309
     C             2.54028             3.78525             6.65068
     C             1.22579             3.58927             6.31052
     C             0.82713             4.96576             5.44405
     C             6.24058             6.40857             4.53712
     C             6.60590             5.05942             5.09736
     C             5.55271             4.59990             5.91046
     C             4.47416             5.41948             5.76875
     C             4.76801             6.73145             4.87484
     C             5.12942             2.63230             4.25177
     C             5.71583            -0.17328             3.96603
     C             7.04176             2.25891             5.14407
     C             1.43031             2.82313             3.77289
     C             2.60816             2.59167             3.32788
     C             7.21701             5.14733             2.78208
     C             4.15959             3.07789             3.54583
     C             8.82554             6.81182             0.25891
     H             9.74776             7.61921             0.34775
     C             7.28716             4.52835             4.01159
     H             8.39997             3.71317             1.30202
     C             7.84251             3.33173             4.52931
     H             8.75992             3.12677             4.15334
     C             7.97143             0.81497             5.15315
     H             7.92701             0.78673             6.45136
           70
 Energy:   -411.8106716862435    
     C             3.83042             4.20018             0.25603
     C             2.48073             3.75201             0.41808
     C             1.71229             4.76965             0.91589
     C             2.55554             5.93278             1.04135
     C             4.04879             5.68961             0.41117
     C             5.50908             1.50136             1.97555
     C             4.55199             1.95798             1.01393
     C             4.99017             3.19854             0.50787
     C             6.33223             3.90329             1.00956
     C             6.60532             2.40717             1.75497
     C             0.76678             0.87314             2.50921
     C             0.89473             1.91316             1.68609
     C             2.13398             2.40676             0.85393
     C             3.16262             1.49753             1.01700
     C             2.39076             0.56691             2.00096
     C             0.42607             4.73424             4.27671
     C             0.57886             5.60511             3.00278
     C             0.60647             4.63348             1.79952
     C             0.29547             3.38597             1.94992
     C            -0.10682             3.37730             3.55822
     C             3.64827             7.30673             4.23682
     C             3.94088             7.16541             2.74786
     C             2.57598             6.94632             2.07484
     C             1.57082             6.61416             3.04174
     C             2.18739             7.00213             4.54931
     C             7.71609             4.60042             1.25976
     C             8.16592             5.80475             0.59870
     C             5.16233             6.52909             0.81126
     C             5.21086             6.76428             2.25614
     C             6.47000             6.30692             3.07867
     C             4.69642             0.58312             5.81574
     C             3.41189             1.36227             6.40378
     C             3.80810             2.85436             6.33641
     C             5.22505             3.11218             6.01732
     C             5.76895             1.52571             6.06713
     C             3.08546            -0.14096             2.90455
     C             3.15391            -0.29495             4.29837
     C             4.48820            -0.48236             4.70077
     C             6.96215             0.31368             3.98948
     C             5.69475             1.22525             3.60676
     C            -0.06126             2.05135             4.59493
     C             0.73369             2.34380             5.90982
     C             1.92109             1.48705             6.17318
     C             1.95823             0.62817             5.07459
     C             0.54046             0.63987             3.98496
     C             1.87469             6.05104             5.70230
     C             3.00839             5.16460             6.26846
     C             2.76863             3.64005             6.50397
     C             1.08561             3.71148             6.28386
     C             0.76693             4.83621             5.59406
     C             5.92419             6.26780             4.39062
     C             6.47598             5.16568             5.07225
     C             5.53407             4.56249             5.90869
     C             4.30719             5.71624             5.82035
     C             4.67978             6.68231             4.95978
     C             5.04966             2.45071             4.50438
     C             5.46914            -0.25941             3.90150
     C             7.12924             2.01366             5.36510
     C             1.37018             2.75885             3.85245
     C             2.75521             2.68337             3.38065
     C             7.19333             4.88784             2.82003
     C             3.89645             3.03442             3.59196
     C             8.88257             6.72776             0.34324
     H             9.33528             7.91779            -0.03021
     C             7.11627             4.22686             4.20456
     H             8.50395             4.04939             1.61434
     C             7.78027             3.11544             4.61190
     H             8.88888             3.24076             4.49499
     C             7.77875             0.89176             5.07851
     H             8.60575             0.26599             5.67350
           70
 Energy:   -406.7504124411521    
     C             3.78125             4.25619             0.17369
     C             2.40707             3.70305             0.34617
     C             1.84998             4.84894             0.98155
     C             2.64481             5.98522             1.08535
     C             3.95675             5.74421             0.50573
     C             5.55816             1.60133             2.02597
     C             4.55423             1.87164             0.94774
     C             4.83373             3.35642             0.45463
     C             6.25226             3.67991             0.94826
     C             6.55652             2.53184             1.59679
     C             0.96099             0.46210             2.28743
     C             1.02691             2.14292             1.52308
     C             2.16462             2.51511             0.87545
     C             3.19685             1.49647             1.09299
     C             2.51110             0.61850             1.93677
     C             0.13252             4.85433             4.31274
     C             0.75363             5.51836             2.95397
     C             0.63011             4.87429             1.64932
     C             0.25980             3.22785             2.07869
     C            -0.11778             3.28515             3.68789
     C             3.71484             7.25226             4.11735
     C             3.91268             7.12556             2.79636
     C             2.64432             6.81061             2.25843
     C             1.38665             6.92674             3.28175
     C             2.37573             6.90742             4.52239
     C             7.55322             4.47207             1.26433
     C             8.07107             5.83240             0.46594
     C             5.31978             6.45887             0.82718
     C             5.26960             6.86527             2.31104
     C             6.45358             6.32381             2.94669
     C             4.62972             0.73618             5.90821
     C             3.50944             1.41910             6.49162
     C             3.84786             2.70266             6.52814
     C             5.32235             3.07357             5.94119
     C             5.93747             1.55137             6.03043
     C             3.36830            -0.08268             2.82452
     C             3.09726            -0.23106             4.25975
     C             4.45106            -0.30390             5.03810
     C             6.78139             0.31163             4.00246
     C             5.53900             1.23697             3.33540
     C             0.10306             1.78506             4.50518
     C             0.84539             2.37168             5.93496
     C             2.02988             1.34913             6.31396
     C             1.89142             0.59981             4.74340
     C             0.84573             0.53342             3.88935
     C             1.72721             6.26696             5.80519
     C             2.80962             5.22088             6.00743
     C             2.74527             3.87236             6.35992
     C             1.25386             3.67997             6.32248
     C             0.86842             5.02236             5.64125
     C             5.77212             6.35838             4.28405
     C             6.38386             5.06004             5.07309
     C             5.26672             4.65524             6.05619
     C             4.23317             5.56789             6.17102
     C             4.56592             6.74119             5.05133
     C             4.97633             2.23317             4.39953
     C             5.48540            -0.49611             3.70196
     C             7.24660             1.89344             5.69089
     C             1.36817             2.50313             3.92645
     C             2.48301             2.81931             3.50691
     C             7.14088             4.79472             2.86280
     C             3.99200             2.93535             3.85262
     C             8.94544             6.77999             0.36313
     H             9.17053             7.88368            -0.30138
     C             7.07537             4.04058             4.15376
     H             8.36629             3.97978             1.50321
     C             7.70135             2.87101             4.83243
     H             8.84486             2.52057             4.79614
     C             7.72268             0.58280             4.88154
     H             8.63363             0.38790             4.47494
           70
 Energy:   -412.0393178974921    
     C             3.85126             4.39869             0.00019
     C             2.44720             3.86934             0.29857
     C             1.76401             5.12094             0.85705
     C             2.82699             6.09223             1.11049
     C             4.04258             5.72155             0.46365
     C             5.53518             1.69521             1.87323
     C             4.49180             1.92467             0.97847
     C             4.84602             3.41476             0.42073
     C             6.18942             3.63734             0.70733
     C             6.67164             2.44541             1.57948
     C             1.31323             0.79047             2.10187
     C             0.89111             2.02512             1.67650
     C             2.20042             2.44705             0.74672
     C             3.19734             1.54596             1.13287
     C             2.70695             0.46514             1.86031
     C            -0.04181             4.81921             4.12397
     C             0.62918             5.60513             3.13097
     C             0.61446             4.62935             1.87071
     C             0.17436             3.29655             2.25518
     C            -0.08553             3.21900             3.83681
     C             3.55888             7.19965             4.33857
     C             4.05081             7.17519             2.83387
     C             2.52661             6.77826             2.30972
     C             1.45640             6.99824             3.38215
     C             2.19445             6.99901             4.54354
     C             7.39767             4.58801             1.37671
     C             8.07758             5.83484             0.46836
     C             5.10305             6.31806             0.87559
     C             5.33634             6.96393             2.05574
     C             6.38805             6.14441             3.00566
     C             4.74334             0.79713             6.16648
     C             3.47384             1.49286             6.58552
     C             3.75741             3.05605             6.70511
     C             5.14053             2.96661             5.68708
     C             5.91466             1.65229             6.11869
     C             3.49955            -0.11320             2.83303
     C             3.22639            -0.06560             4.27729
     C             4.37810            -0.19558             4.96361
     C             6.61457             0.18852             3.84215
     C             5.38483             1.13982             3.41731
     C             0.05999             1.69406             4.66785
     C             1.01150             2.13218             5.90337
     C             2.00427             1.00387             5.93870
     C             2.04466             0.35795             4.72687
     C             0.88568             0.55034             3.53318
     C             1.74966             6.37415             5.69138
     C             2.92882             5.33895             6.02005
     C             2.77307             3.89309             6.33389
     C             1.33206             3.69238             6.19901
     C             0.71148             5.15446             5.59241
     C             6.00614             6.20695             4.46608
     C             6.11926             4.94328             5.01394
     C             5.25405             4.55792             6.09499
     C             4.23550             5.75045             6.18232
     C             4.63500             6.73066             5.24391
     C             5.01254             2.20875             4.31501
     C             5.23984            -0.54315             3.86181
     C             7.44328             1.36921             5.85669
     C             1.44148             2.49543             3.86387
     C             2.62284             3.00743             3.68336
     C             7.08139             4.88421             2.77753
     C             3.77596             2.83054             4.03543
     C             8.78201             6.74508             0.28094
     H             9.57542             7.63928            -0.00217
     C             7.07202             4.07773             4.13440
     H             7.92522             3.69750             1.06686
     C             7.74472             2.83644             5.01092
     H             8.55610             2.98204             4.10185
     C             7.78358             0.43904             4.79406
     H             8.71615             0.72756             4.44833
           70
 Energy:   -405.3018349631967    
     C             3.82669             4.27631            -0.12764
     C             2.47716             4.03751             0.21871
     C             1.51088             5.06878             0.81645
     C             2.67022             6.11471             1.06706
     C             3.88225             5.66530             0.33229
     C             5.51514             1.52550             1.94199
     C             4.49570             2.22230             1.01941
     C             4.87267             3.29663             0.26736
     C             6.32517             3.73406             0.56665
     C             6.82071             2.41598             1.50779
     C             1.52880             1.01140             2.35140
     C             0.82054             2.29869             1.57240
     C             1.93074             2.63454             0.65714
     C             3.23911             1.55954             0.99641
     C             2.87050             0.29427             1.79206
     C             0.01588             4.75996             4.26680
     C             0.40194             5.78925             3.16137
     C             0.79354             4.60888             2.10729
     C             0.22830             3.24842             2.36013
     C            -0.13585             3.16141             3.96265
     C             3.68636             7.21007             4.45124
     C             4.02553             7.30527             2.95467
     C             2.71853             7.00598             2.36764
     C             1.48898             6.64387             3.18862
     C             1.97607             7.30542             4.64733
     C             7.28067             4.62935             1.29638
     C             8.00522             5.70711             0.63624
     C             5.16628             6.34612             0.80716
     C             5.42906             6.86812             2.20414
     C             6.16048             6.13710             3.13801
     C             4.71364             0.67534             6.28169
     C             3.32446             1.57364             6.65308
     C             3.75450             3.15749             6.68072
     C             4.98234             2.92495             5.79775
     C             6.02546             1.64429             6.25747
     C             3.52225            -0.25419             2.85708
     C             3.18899             0.05027             4.15861
     C             4.44441            -0.04473             5.23724
     C             6.76900             0.04474             3.80569
     C             5.40856             1.00410             3.28704
     C             0.30128             1.67163             4.44460
     C             1.13472             2.01881             5.87806
     C             2.15489             1.01598             5.81126
     C             1.87328             0.08860             4.51233
     C             0.88105             0.65587             3.52467
     C             1.78244             6.03698             5.65515
     C             2.97307             5.47868             6.27609
     C             2.64320             4.13236             6.35765
     C             1.18533             3.55092             5.92463
     C             0.48484             4.99912             5.45775
     C             5.98397             6.22812             4.62862
     C             6.13193             4.69097             4.97118
     C             5.21013             4.43683             6.03532
     C             4.43433             5.74723             6.19623
     C             4.91403             6.82998             5.18814
     C             5.03596             2.25941             4.24979
     C             5.39900            -0.58712             3.94128
     C             7.42679             1.31463             5.70868
     C             1.35399             2.60224             3.85209
     C             2.53487             3.17098             3.84101
     C             7.00465             4.96846             2.81151
     C             3.69064             2.76308             4.16069
     C             8.64262             6.74318             0.14002
     H             9.64852             7.24232             0.36845
     C             7.08283             4.05131             4.24257
     H             8.55021             4.21181             1.40396
     C             7.70293             2.75398             5.09561
     H             8.46328             2.68699             4.35638
     C             7.71927             0.33833             4.60810
     H             8.83870             0.09789             4.20283
           70
 Energy:   -407.6416485342555    
     C             3.82914             4.14363            -0.17483
     C             2.16506             3.93566             0.16367
     C             1.50087             5.00930             0.99799
     C             2.48074             6.16777             1.01858
     C             3.82469             5.78976             0.31868
     C             5.65254             1.58993             1.81007
     C             4.51993             2.19347             1.14005
     C             5.03915             3.40424             0.11012
     C             6.35833             3.53266             0.55765
     C             6.72961             2.37201             1.36119
     C             1.52581             1.18431             2.35277
     C             0.99300             2.37776             1.54744
     C             2.01905             2.68487             0.55861
     C             3.06792             1.79525             0.74374
     C             2.77281             0.44126             1.74577
     C            -0.12970             4.76445             4.20604
     C             0.30441             5.59388             3.10150
     C             0.76358             4.74147             2.14434
     C             0.24673             3.45020             2.31192
     C            -0.31619             3.23650             3.86318
     C             3.70585             7.43855             4.44795
     C             3.99727             7.39068             3.02107
     C             2.82651             6.99157             2.14767
     C             1.67165             6.63344             3.23294
     C             2.15754             7.11804             4.69737
     C             7.44261             4.59534             1.42251
     C             7.89183             5.83339             0.60777
     C             5.22531             6.43726             0.86697
     C             5.15484             6.73043             2.38591
     C             6.19484             6.09807             3.23427
     C             4.56171             0.90549             6.54408
     C             3.42716             1.55306             6.58915
     C             3.47085             2.98266             6.58877
     C             5.09923             2.69846             5.94959
     C             6.03241             1.53898             6.32704
     C             3.62467            -0.46399             2.74074
     C             3.34735            -0.06727             4.23885
     C             4.48855            -0.16724             5.13825
     C             6.87573            -0.04924             3.60656
     C             5.58812             0.96851             3.24853
     C             0.23886             1.69645             4.42868
     C             1.06862             2.06037             5.66289
     C             2.25865             1.07952             5.80447
     C             1.83500            -0.01603             4.66842
     C             0.94388             0.52959             3.56821
     C             1.64860             5.85832             5.55412
     C             3.05875             5.73076             6.50096
     C             2.41342             4.07495             6.47379
     C             1.23384             3.45896             5.88009
     C             0.73401             4.74167             5.58197
     C             6.03087             6.07402             4.56607
     C             6.22536             4.82867             5.07993
     C             5.16473             4.38113             5.91607
     C             4.49905             5.58976             6.29377
     C             4.84088             6.88019             5.29419
     C             5.09718             2.14172             4.35486
     C             5.41669            -0.56207             4.15902
     C             7.20637             1.55121             5.40309
     C             1.35329             2.94086             3.92061
     C             2.60042             3.38542             3.97434
     C             6.85255             4.89627             3.04008
     C             3.75445             2.74946             4.21114
     C             8.58420             6.69846             0.06771
     H             9.40905             7.32890             0.05569
     C             7.23607             3.81879             4.24112
     H             8.14094             3.70986             2.09923
     C             7.69143             2.75445             4.90297
     H             8.75003             2.56779             4.91226
     C             7.81292             0.33397             4.60564
     H             8.80591            -0.50238             4.79513
           70
 Energy:   -410.9716097610722    
     C             3.65479             4.48037            -0.15114
     C             2.14213             4.02784             0.07910
     C             1.75720             5.06355             1.05860
     C             2.58610             6.18554             0.88819
     C             3.87011             5.76962             0.29562
     C             5.61474             1.65976             1.79285
     C             4.47492             2.14267             0.92246
     C             5.00117             3.42163             0.19509
     C             6.60089             3.56742             0.67189
     C             6.82129             2.22309             1.20746
     C             1.40923             1.12541             2.28939
     C             1.13617             2.41820             1.72882
     C             1.91057             2.59355             0.53163
     C             3.20947             1.70424             0.77594
     C             2.71958             0.74913             1.71991
     C            -0.23226             4.79281             4.33303
     C             0.63326             5.66183             3.24912
     C             0.57639             4.86119             1.87306
     C             0.29906             3.43275             2.12018
     C            -0.48614             3.22611             3.59485
     C             3.65733             7.57819             4.48806
     C             3.90633             7.36106             2.87979
     C             2.57280             6.92275             2.20659
     C             1.67439             6.70522             3.35526
     C             2.42998             6.61266             4.57476
     C             7.38425             4.47370             1.64847
     C             7.76128             5.84715             0.61163
     C             4.93561             6.45106             1.05109
     C             5.09351             6.63029             2.43753
     C             6.17212             6.07101             3.16144
     C             4.66748             0.62320             6.33009
     C             3.22969             1.53733             6.43390
     C             3.45655             3.01922             6.45311
     C             4.93144             2.82983             5.99843
     C             6.00638             1.41370             6.30155
     C             3.49698            -0.38611             2.67278
     C             3.36336            -0.41941             4.26468
     C             4.47223            -0.18094             5.30157
     C             6.97627            -0.13170             3.54360
     C             5.76494             1.02082             3.28873
     C             0.13968             1.93334             4.26619
     C             1.10348             2.01993             5.65511
     C             2.09566             1.12012             5.78249
     C             2.17448             0.09506             4.84896
     C             1.02290             0.65765             3.71064
     C             1.80368             5.91016             5.63821
     C             2.85679             5.36993             6.63777
     C             2.56783             4.05276             6.64562
     C             1.29876             3.36208             6.04653
     C             0.83425             4.73522             5.30954
     C             5.91411             6.20701             4.68569
     C             6.45175             4.76193             5.19240
     C             5.25153             4.27903             5.85951
     C             4.36973             5.65479             6.26127
     C             4.73544             6.73929             5.41768
     C             5.07226             1.94335             4.51680
     C             5.61626            -0.28287             4.19753
     C             7.00189             1.55189             5.16878
     C             1.25332             3.26848             3.89595
     C             2.78461             3.53512             4.08418
     C             6.89573             4.66812             2.97200
     C             3.94941             2.78873             4.18968
     C             8.56581             6.70529             0.03682
     H             8.92205             7.44275            -0.60541
     C             7.09347             3.95870             4.19193
     H             8.38810             3.53136             1.61008
     C             7.95386             2.71246             4.65097
     H             8.82131             3.11587             5.26274
     C             7.74917             0.37163             4.67771
     H             8.39595             0.04631             5.60857
           70
 Energy:   -408.9593397013983    
     C             3.79977             4.43475            -0.08285
     C             2.37959             3.98117             0.11037
     C             1.74584             5.12224             0.85312
     C             2.64057             6.27625             1.05593
     C             3.80344             5.91048             0.32599
     C             5.50300             1.63387             1.86119
     C             4.62732             2.17281             0.67541
     C             4.84660             3.64960             0.36069
     C             6.40375             3.57925             0.67600
     C             6.93559             2.00884             1.08843
     C             1.35545             0.97691             2.42169
     C             1.12056             2.38263             1.75726
     C             1.98216             2.66046             0.51144
     C             3.18337             1.60950             0.84428
     C             2.73197             0.70145             1.95928
     C            -0.14870             4.67651             4.15207
     C             0.67603             5.62222             3.24964
     C             0.58434             5.01697             1.76863
     C             0.13366             3.46662             2.04186
     C            -0.40915             3.48988             3.38404
     C             3.74404             7.33219             4.53087
     C             3.71964             7.30112             2.91578
     C             2.43335             7.00083             2.27896
     C             1.66617             6.60634             3.40479
     C             2.55337             6.44102             4.47585
     C             7.49207             4.56879             1.43850
     C             7.79328             5.77956             0.77367
     C             4.78696             6.36108             1.12159
     C             5.09230             6.65341             2.39745
     C             6.01506             5.95216             3.28861
     C             4.49197             0.66285             6.21221
     C             3.34414             1.43802             6.37708
     C             3.61818             2.85843             6.48040
     C             4.95115             2.83099             5.95147
     C             5.77466             1.62753             6.10308
     C             3.23684            -0.13136             2.72375
     C             3.30345            -0.71998             4.23574
     C             4.59957            -0.49304             5.00467
     C             7.05896            -0.10761             3.57893
     C             5.88881             1.18038             3.22719
     C             0.32324             2.15790             4.19800
     C             0.96147             2.23071             5.57323
     C             1.95118             1.07494             5.88424
     C             2.18911             0.30239             4.57074
     C             1.22699             0.85882             3.85980
     C             2.00929             5.79476             5.73533
     C             2.86698             5.15312             6.62811
     C             2.56674             3.64940             6.82913
     C             1.28585             3.52090             6.18773
     C             0.91795             4.82866             5.30282
     C             5.94524             6.27292             4.74470
     C             6.48461             4.82911             5.27855
     C             5.29848             4.39129             6.02233
     C             4.09705             5.46530             6.26126
     C             4.65219             6.67854             5.34173
     C             5.11317             1.77571             4.60583
     C             5.64897            -0.09166             4.30537
     C             7.09946             1.66098             5.02817
     C             1.24750             3.47652             3.97065
     C             2.65540             3.45455             4.13724
     C             6.88657             4.70609             2.89929
     C             3.94517             2.96002             4.14235
     C             8.31272             6.55797             0.08271
     H             8.33240             7.04286            -0.79673
     C             7.08782             4.02983             4.14211
     H             8.86801             4.45055             1.72779
     C             7.86991             2.82634             4.52052
     H             8.87396             2.88823             5.19052
     C             7.63321             0.37066             4.81220
     H             8.37873            -0.16850             5.34116
           70
 Energy:   -412.4970581889137    
     C             3.86912             4.50490             0.03737
     C             2.57759             3.97393             0.24386
     C             1.53786             5.17822             0.66460
     C             2.37023             6.27622             1.11200
     C             3.70651             5.92982             0.32073
     C             5.68869             1.61389             1.78881
     C             4.58944             2.13284             0.73392
     C             4.97597             3.65967             0.47803
     C             6.31732             3.48303             0.79860
     C             6.74955             2.04544             0.94119
     C             1.35962             1.21165             2.29459
     C             0.93427             2.30707             1.55894
     C             2.23788             2.65185             0.65149
     C             3.13175             1.65721             0.88388
     C             2.61658             0.71305             1.96717
     C             0.12884             4.83830             4.18660
     C             0.53425             5.64903             2.88845
     C             0.67866             4.88737             1.76963
     C             0.07351             3.69434             1.80079
     C            -0.34001             3.33496             3.36941
     C             3.70645             6.93467             4.41431
     C             3.85199             7.28184             3.11259
     C             2.52369             7.12699             2.30296
     C             1.67473             6.43077             3.39114
     C             2.39940             6.50512             4.69890
     C             7.42612             4.39609             1.44456
     C             7.79059             5.87256             0.88940
     C             5.07363             6.33065             1.02220
     C             4.93806             6.75247             2.53804
     C             5.88156             5.91973             3.29654
     C             4.47113             0.50528             5.87932
     C             3.20485             1.23920             6.43343
     C             3.61027             2.55268             6.67358
     C             4.98911             3.15379             5.77935
     C             5.76050             1.57859             5.84634
     C             3.29855            -0.24584             3.01219
     C             3.27956            -0.75381             4.25045
     C             4.46159            -0.63681             4.93163
     C             7.02913             0.10060             3.51223
     C             5.90610             1.22897             3.26347
     C             0.42061             2.28793             4.17034
     C             0.92910             2.39006             5.72387
     C             1.98865             1.10347             5.86513
     C             2.18599             0.33028             4.64315
     C             1.06317             1.15149             3.64041
     C             2.00345             5.62236             5.59159
     C             2.93749             4.91479             6.65331
     C             2.52007             3.52376             6.94562
     C             1.16394             3.67786             6.16646
     C             0.84541             4.82934             5.60335
     C             5.99959             6.17296             4.74389
     C             6.38715             4.99024             5.32257
     C             5.35980             4.46807             6.19784
     C             4.38975             5.32445             6.19693
     C             4.74369             6.49597             5.40203
     C             5.03375             2.12505             4.42195
     C             5.72237            -0.15061             4.25276
     C             7.23535             1.80135             5.12989
     C             1.34605             3.66518             4.00940
     C             2.70998             3.25969             4.13681
     C             6.78797             4.93732             2.91618
     C             3.84925             2.99094             4.20777
     C             8.08484             6.60768            -0.08479
     H             8.26269             7.03122            -0.95211
     C             7.15683             4.12897             4.16521
     H             8.31534             3.51606             1.74550
     C             7.66897             2.89163             4.55575
     H             8.75114             2.89607             4.00910
     C             7.65659             0.35939             4.89814
     H             8.33882            -0.29473             5.05842
           70
 Energy:   -409.5146285011464    
     C             3.88684             4.55334             0.23441
     C             2.47675             4.05502             0.36978
     C             1.55010             5.10005             0.59907
     C             2.44259             6.40644             0.85108
     C             3.92533             6.00796             0.52641
     C             5.72960             1.41353             1.75994
     C             4.58002             2.11026             1.04424
     C             4.95601             3.50897             0.45022
     C             6.40272             3.53390             0.79090
     C             6.62428             2.15638             0.78150
     C             1.30804             1.39200             2.15612
     C             0.77694             2.56490             1.08241
     C             2.18017             2.73041             0.81816
     C             3.33448             1.58111             1.04222
     C             2.75739             0.63827             1.86274
     C             0.26236             4.88408             4.08882
     C             0.55267             5.76819             2.75400
     C             0.60040             4.83452             1.58131
     C             0.03613             3.43238             1.78996
     C            -0.17750             3.57219             3.36945
     C             3.63526             6.66187             4.57867
     C             3.89524             7.28300             3.11861
     C             2.61349             7.06369             2.43432
     C             1.66011             6.48410             3.33168
     C             2.12490             6.54865             4.70227
     C             7.33267             4.47771             1.68331
     C             7.74945             5.75482             0.88944
     C             5.08198             6.48006             1.00585
     C             5.08374             6.67109             2.33255
     C             5.89779             6.10297             3.24331
     C             4.64455             0.55390             5.76073
     C             3.29460             0.96856             6.51884
     C             3.67946             2.56957             6.82029
     C             4.93229             2.91444             6.00254
     C             5.55505             1.59925             5.47944
     C             3.26421            -0.22051             2.74946
     C             3.05642            -0.64225             4.42817
     C             4.47710            -0.68619             4.97313
     C             7.06509             0.33604             3.54102
     C             5.68131             1.24555             3.36293
     C             0.48117             2.31658             4.41706
     C             0.95877             2.20400             5.75176
     C             1.86880             1.26315             5.75479
     C             1.75775             0.38559             4.51250
     C             1.13438             1.05342             3.57842
     C             2.01956             5.44908             5.83315
     C             3.13213             4.90578             6.44837
     C             2.61199             3.61795             6.94184
     C             1.17893             3.45406             6.42321
     C             0.62349             4.86660             5.66126
     C             5.91900             6.21434             4.64832
     C             6.61390             4.90600             5.35690
     C             5.62175             4.30119             6.22840
     C             4.44508             5.39019             6.39899
     C             4.67564             6.38842             5.32228
     C             5.29129             2.51641             4.15493
     C             5.62429            -0.24040             4.04565
     C             7.23326             1.64061             5.46916
     C             1.28652             3.67355             4.06433
     C             2.59231             3.28325             4.07938
     C             6.77746             4.98344             2.92452
     C             3.82069             2.89386             4.12095
     C             7.84015             6.62127            -0.17318
     H             8.20160             7.12232            -0.89357
     C             7.05909             4.40398             4.22078
     H             8.41506             3.97716             2.06655
     C             7.73085             2.94992             4.44358
     H             7.98550             2.38531             3.55846
     C             7.78477             0.47221             4.79285
     H             8.50321            -0.16862             5.34765
           70
 Energy:   -406.2346053877945    
     C             3.90231             4.42439             0.47836
     C             2.59258             4.03609             0.42774
     C             1.72470             5.27452             0.62668
     C             2.68675             6.53172             0.82491
     C             3.96336             5.87036             0.50464
     C             5.71376             1.20389             1.78910
     C             4.66266             2.20135             1.26767
     C             4.86892             3.42453             0.53701
     C             6.41306             3.82803             0.70350
     C             6.67679             2.06543             0.77993
     C             1.37398             1.31481             1.98897
     C             0.73800             2.35724             0.94819
     C             2.30767             2.73560             0.76997
     C             3.25754             1.86780             1.13075
     C             2.63827             0.59125             1.77182
     C             0.22457             5.05368             4.14101
     C             0.58209             5.72078             2.78269
     C             0.32445             4.92450             1.50467
     C            -0.04524             3.44342             1.87993
     C            -0.12949             3.50490             3.33029
     C             3.43973             6.79902             4.50720
     C             3.88893             7.05121             3.04046
     C             2.64355             6.87502             2.24831
     C             1.53764             6.70492             3.24720
     C             2.08989             6.33394             4.75848
     C             7.41947             4.63760             1.75249
     C             7.65016             5.59696             0.64027
     C             5.07497             6.74466             0.93305
     C             5.20073             6.83278             2.45234
     C             6.18121             6.19787             3.24044
     C             4.59285             0.53288             5.94582
     C             3.45401             1.09285             6.52193
     C             3.66959             2.48062             6.88005
     C             4.96279             2.80573             6.35095
     C             5.69418             1.73316             5.21182
     C             3.13654            -0.38272             2.82571
     C             2.87767            -0.40298             4.15721
     C             4.49093            -0.65338             4.80319
     C             6.97083             0.45749             3.77129
     C             5.62779             1.21041             3.25392
     C             0.28692             2.30930             4.28619
     C             0.93893             2.14929             5.91078
     C             1.99960             0.96907             5.77962
     C             1.69305             0.23999             4.61580
     C             0.89395             1.24121             3.37647
     C             1.81822             5.59720             5.86479
     C             3.17637             4.88086             6.41105
     C             2.79985             3.59873             6.85336
     C             1.21479             3.40805             6.59396
     C             0.64922             4.59371             5.70808
     C             5.91324             6.15534             4.76773
     C             6.68086             5.12815             5.42112
     C             5.56773             4.07698             6.31233
     C             4.63488             5.30558             6.53122
     C             4.64443             6.26655             5.40247
     C             5.32883             2.71380             3.98902
     C             5.44759            -0.39440             3.75654
     C             7.26031             1.79020             5.47665
     C             1.23068             3.58324             4.20842
     C             2.74039             3.36483             4.00447
     C             6.76270             4.93654             3.06871
     C             3.97247             2.87752             3.97041
     C             7.63046             6.49111            -0.05226
     H             7.81388             7.14914            -0.60637
     C             7.31050             4.13422             4.14305
     H             8.32368             5.03922             2.19023
     C             7.52525             2.80597             4.45619
     H             7.62720             2.32570             3.55195
     C             7.93281             0.68784             4.69264
     H             8.72189            -0.06100             5.29528
           70
 Energy:   -412.7578268589466    
     C             4.06638             4.42668             0.57817
     C             2.59481             4.13204             0.50238
     C             1.67408             5.40311             0.70659
     C             2.75016             6.33476             0.87512
     C             4.13871             5.86041             0.41520
     C             5.68251             1.37611             1.61282
     C             4.55022             2.22685             1.24680
     C             5.08259             3.48788             0.80868
     C             6.59549             3.65890             0.81288
     C             6.64462             2.34173             0.88902
     C             1.26637             1.13876             1.96544
     C             0.80180             2.25819             1.18305
     C             2.15570             2.76712             0.59364
     C             3.20486             1.89895             1.32979
     C             2.64987             0.55922             1.74094
     C             0.19852             4.72968             4.23619
     C             0.43920             5.68828             2.96050
     C             0.34006             5.07619             1.49501
     C            -0.00349             3.62633             1.68129
     C            -0.20487             3.55623             3.43494
     C             3.57027             6.88816             4.43668
     C             3.82811             6.79951             3.04088
     C             2.69247             6.93261             2.21137
     C             1.48382             6.76534             3.11458
     C             2.07985             6.42157             4.53949
     C             7.35869             4.54290             1.70096
     C             7.53632             5.46326             0.34954
     C             5.11372             6.89794             0.93080
     C             5.25185             7.06860             2.57069
     C             6.28325             6.32825             3.49107
     C             4.73924             0.54677             5.70088
     C             3.31323             1.21626             6.38507
     C             3.78331             2.53173             6.86997
     C             5.20174             2.75382             6.59830
     C             5.64504             1.80232             5.46256
     C             2.91007            -0.45821             2.52236
     C             3.03201            -0.30235             4.04150
     C             4.20160            -0.25108             4.61085
     C             6.74683             0.26811             4.01336
     C             5.73702             1.25081             3.13732
     C             0.20628             2.18335             4.42008
     C             0.91855             2.05187             5.77839
     C             2.01879             0.86481             6.01645
     C             1.71735             0.33672             4.37557
     C             0.85415             1.04497             3.51493
     C             1.80029             5.61610             5.87786
     C             3.00134             4.97990             6.56405
     C             2.70945             3.47883             6.79880
     C             1.31453             3.38548             6.49447
     C             0.69693             4.60791             5.93096
     C             5.95106             6.18934             4.83400
     C             6.59492             4.81981             5.41554
     C             5.67099             4.19189             6.30355
     C             4.55780             5.16386             6.44111
     C             4.61504             6.30949             5.42368
     C             5.23835             2.35541             3.86190
     C             5.45095            -0.41117             3.61453
     C             7.24788             1.88691             5.44423
     C             1.48161             3.47293             4.12687
     C             2.81774             3.45785             3.96633
     C             6.95532             4.77884             3.15312
     C             4.07344             3.13106             3.75602
     C             7.48007             6.61976            -0.19127
     H             7.27313             7.44700            -0.52785
     C             7.32538             4.13031             4.47071
     H             8.36548             4.82011             1.96775
     C             7.38316             2.74176             4.23895
     H             7.82402             2.29342             3.37886
     C             7.97798             0.86008             4.78439
     H             9.07076             0.25008             4.54014
           70
 Energy:   -407.4130826444329    
     C             4.08517             4.62971             0.50343
     C             2.50089             4.21579             0.51737
     C             1.54832             5.26656             0.73910
     C             2.79130             6.18396             0.93225
     C             4.32026             6.10788             0.50081
     C             5.73165             1.61737             1.51329
     C             4.48430             2.29011             1.15059
     C             5.08456             3.74257             1.05060
     C             6.50490             3.56483             0.91167
     C             6.98178             2.02729             1.05052
     C             0.98310             0.94683             2.22136
     C             0.85347             2.53986             1.43949
     C             2.04164             2.77304             0.62584
     C             3.12295             1.88241             1.24843
     C             2.46677             0.66211             1.67398
     C             0.46052             4.54150             4.38337
     C             0.20634             5.60891             3.23073
     C             0.53683             5.16084             1.63457
     C             0.09876             3.62540             1.90467
     C            -0.07245             3.20424             3.28032
     C             3.64713             6.71498             4.48535
     C             3.97850             6.87271             3.04674
     C             2.66614             6.97587             2.24630
     C             1.50269             6.60620             3.12080
     C             2.14419             6.66301             4.48259
     C             7.47247             4.66331             1.57536
     C             7.42187             5.43503             0.18329
     C             5.23382             6.94430             1.12129
     C             5.27624             7.01697             2.49146
     C             6.36536             6.25188             3.46351
     C             4.47720             0.77153             5.51755
     C             3.44478             1.13210             6.23599
     C             3.84232             2.66377             6.83506
     C             5.34956             2.94901             6.68226
     C             5.64114             1.92835             5.61571
     C             2.86270            -0.67022             2.33506
     C             2.90101            -0.27329             3.70216
     C             4.31964             0.06412             4.29326
     C             6.80601             0.09199             4.21537
     C             5.97178             0.97534             2.90129
     C             0.21563             2.10437             4.32854
     C             0.94481             2.02024             5.68674
     C             1.81738             0.89786             5.83461
     C             1.97397             0.42041             4.50413
     C             0.80051             0.88481             3.60254
     C             1.93759             5.64806             5.80631
     C             2.93370             4.94149             6.71993
     C             2.62826             3.58328             6.83103
     C             1.26688             3.18115             6.20889
     C             0.75461             4.72242             5.74744
     C             6.06392             6.05611             5.08041
     C             6.42573             4.71675             5.49525
     C             5.52693             4.24393             6.47381
     C             4.19524             5.18047             6.26171
     C             4.63544             6.38878             5.37334
     C             5.09494             1.95722             4.15810
     C             5.29691            -0.28812             3.59241
     C             7.10861             1.91812             5.39794
     C             1.46589             3.50833             3.92281
     C             2.85740             3.54617             3.91127
     C             7.14268             5.02763             3.25937
     C             4.23949             3.31066             3.58394
     C             7.31482             6.67623            -0.32849
     H             6.91337             7.50068            -0.37505
     C             7.21509             4.13132             4.33893
     H             8.54519             4.10826             1.18637
     C             7.46735             2.80986             4.08770
     H             7.83463             2.67125             3.00508
     C             7.84478             0.72089             4.77084
     H             8.82340             1.15789             4.34372
           70
 Energy:   -411.3162634449899    
     C             3.95763             4.73840             0.44303
     C             2.60623             4.12065             0.40934
     C             1.60493             5.28144             0.77838
     C             2.75089             6.28404             1.05823
     C             4.28935             6.31812             0.56685
     C             5.81080             1.52211             1.70245
     C             4.44283             2.43263             1.17671
     C             4.96360             3.73845             1.05367
     C             6.52109             3.48743             1.16188
     C             7.35105             2.01005             1.04237
     C             0.84583             1.18460             2.20508
     C             0.91281             2.43621             1.65557
     C             2.12795             2.90189             0.91536
     C             3.08210             1.86182             0.91285
     C             2.10604             0.57861             1.66342
     C             0.32296             4.40795             4.18975
     C             0.28482             5.66298             3.28325
     C             0.49712             4.95865             1.99679
     C             0.18505             3.67647             2.04697
     C             0.14840             3.04345             3.56045
     C             3.68077             6.68966             4.36397
     C             4.02092             7.14211             3.09929
     C             2.68279             6.81510             2.28281
     C             1.49059             6.43391             3.33377
     C             2.26043             6.62973             4.74729
     C             7.56464             4.78143             1.58032
     C             7.29897             5.57869             0.16225
     C             5.44565             6.96781             1.19865
     C             5.41806             6.73420             2.68995
     C             6.35737             6.21919             3.49289
     C             4.38801             0.89994             5.36199
     C             3.17128             1.37564             6.41824
     C             3.63713             2.56515             6.84785
     C             5.01715             2.97667             6.75733
     C             5.65529             1.85878             5.59700
     C             2.81466            -0.66371             2.15265
     C             2.96551            -0.27515             3.60312
     C             4.07688             0.06413             4.10007
     C             6.81440            -0.08496             3.96906
     C             6.04303             1.04015             2.99884
     C             0.14545             1.77357             4.32973
     C             0.79886             2.00397             5.53850
     C             2.00930             1.04586             5.69529
     C             1.91968             0.22648             4.35283
     C             0.78172             0.73952             3.68367
     C             1.91170             5.75203             5.77755
     C             2.84821             5.00995             6.61660
     C             2.57916             3.50307             6.90563
     C             1.29011             3.42197             6.14750
     C             0.96558             4.67565             5.62807
     C             6.04879             6.10059             4.99765
     C             6.41620             4.70731             5.55962
     C             5.23334             4.49198             6.59496
     C             4.21732             5.29413             6.28584
     C             4.67095             6.24601             5.42315
     C             5.18141             1.91009             3.92658
     C             5.39524            -0.34941             3.52636
     C             7.15773             1.96970             5.07662
     C             1.77461             3.52726             3.61199
     C             3.03960             3.55587             3.74212
     C             7.39764             5.29581             2.87567
     C             4.37848             3.12236             3.64171
     C             7.11007             6.57104            -0.40725
     H             6.89064             7.42430            -0.48747
     C             7.05868             4.20466             4.08067
     H             8.25965             3.75241             1.36304
     C             7.56635             2.85329             4.20075
     H             7.90044             2.14109             3.26778
     C             7.64847             0.67853             4.85218
     H             8.61889             0.90188             4.44836
           70
 Energy:   -410.8398681803781    
     C             4.01841             4.67378             0.47058
     C             2.55546             4.26866             0.43219
     C             1.68758             5.29791             0.98595
     C             2.67874             6.41907             1.08076
     C             4.17522             6.35362             0.55276
     C             5.99603             1.62814             1.56885
     C             4.62236             2.13892             1.28327
     C             5.00777             3.75471             0.88138
     C             6.56545             3.50553             1.43614
     C             7.18861             2.18263             1.10769
     C             1.03166             1.16234             2.20800
     C             0.95229             2.60821             1.65697
     C             2.19186             2.90599             1.11218
     C             3.03469             1.56386             0.89083
     C             2.06731             0.59533             1.35455
     C             0.38653             4.50169             4.05215
     C             0.58953             5.67679             3.23044
     C             0.56478             4.94615             1.95905
     C             0.12823             3.48250             2.28285
     C             0.36259             2.89051             3.80840
     C             3.69026             6.88056             4.54263
     C             3.99133             7.21506             3.08885
     C             2.64781             6.79164             2.66565
     C             1.68127             6.52675             3.66545
     C             2.36060             6.48590             4.77629
     C             7.51765             4.63143             1.35742
     C             7.24465             5.64333             0.32344
     C             5.50681             6.81345             1.27547
     C             5.37965             6.74931             2.69016
     C             6.47831             6.19076             3.56504
     C             4.19082             0.90874             5.36704
     C             3.22748             1.33962             6.26025
     C             3.36316             2.60949             7.10105
     C             4.72052             2.84662             6.51948
     C             5.41996             2.00930             5.47280
     C             2.64847            -0.41517             2.08368
     C             2.88449            -0.41849             3.49257
     C             4.28141             0.02341             4.23900
     C             6.90588            -0.13671             3.70356
     C             5.99925             1.08462             3.15527
     C            -0.02620             1.58775             4.47647
     C             0.89447             2.15867             5.69852
     C             1.93209             1.09252             5.46994
     C             1.71734             0.03726             4.27050
     C             0.58924             0.59345             3.39954
     C             1.77191             5.71847             5.87592
     C             2.89124             5.07134             6.53243
     C             2.45274             3.68662             6.92322
     C             1.25779             3.42304             6.20018
     C             0.96011             4.61124             5.32702
     C             5.97538             6.08545             4.83786
     C             6.43478             4.74302             5.52755
     C             5.31438             4.28697             6.57198
     C             4.24169             5.51649             6.50899
     C             4.63786             6.28090             5.28054
     C             5.48210             2.23400             3.97966
     C             5.36658            -0.48961             3.46052
     C             7.03428             1.88935             5.03101
     C             1.77188             3.63758             3.42610
     C             3.35546             3.49951             3.50196
     C             7.45479             5.42215             2.81796
     C             4.35785             2.81630             3.72395
     C             6.86585             6.60466            -0.54180
     H             6.89942             7.38245            -1.03482
     C             7.03298             4.35064             4.00991
     H             8.45820             4.21931             1.64304
     C             7.60843             3.03022             4.09523
     H             8.68986             3.10822             3.42883
     C             7.61450             0.52916             4.82832
     H             8.41566            -0.10487             5.29617
           70
 Energy:   -410.3093505448599    
     C             4.04155             4.70904             0.48595
     C             2.56621             4.22310             0.70735
     C             1.78080             5.34184             1.09952
     C             2.59981             6.56569             1.38387
     C             4.10573             6.11949             0.62510
     C             5.90914             1.34649             1.69495
     C             4.63633             1.93201             1.07672
     C             5.13487             3.44015             0.89362
     C             6.41885             3.67378             1.37738
     C             6.98768             2.39688             1.19870
     C             1.08375             1.20524             1.96061
     C             1.03528             2.52872             1.66620
     C             2.40302             2.89824             0.94073
     C             3.30067             1.72036             1.02694
     C             2.20585             0.57037             1.11710
     C             0.61582             4.51547             4.00138
     C             0.84209             5.77774             3.11229
     C             0.64745             4.94429             1.85843
     C             0.02526             3.48550             2.43071
     C             0.43718             2.82497             3.92868
     C             3.68372             7.14467             4.72625
     C             4.04958             7.11397             3.28711
     C             2.70912             6.95547             2.61580
     C             1.73076             6.60620             3.60231
     C             2.33672             6.51878             4.99720
     C             7.53783             4.72024             1.40337
     C             7.13760             5.84079             0.33187
     C             5.27945             6.54210             1.21496
     C             5.31731             6.96278             2.63099
     C             6.37124             6.41755             3.37237
     C             4.38134             0.84293             5.31963
     C             3.00922             1.25402             6.06551
     C             3.25809             2.56475             7.14949
     C             4.63533             2.97412             6.35174
     C             5.54902             1.93186             5.46767
     C             2.60502            -0.39713             2.15678
     C             2.88396            -0.46100             3.58898
     C             4.14684            -0.18154             4.31874
     C             7.04923            -0.08268             3.56035
     C             5.91597             1.09370             3.04555
     C            -0.04305             1.45067             4.59187
     C             0.89388             2.06200             5.72171
     C             1.73741             0.96368             5.29979
     C             1.59098             0.00812             4.31497
     C             0.32419             0.55366             3.32897
     C             1.85470             5.59972             5.80145
     C             2.85383             5.14737             6.73847
     C             2.33181             3.82031             7.01581
     C             1.11531             3.46616             6.17519
     C             0.86546             4.64323             5.54072
     C             5.94015             5.91967             4.85867
     C             6.39245             4.70802             5.44359
     C             5.34623             4.12510             6.44912
     C             4.44847             5.48183             6.56612
     C             4.73317             6.40370             5.44538
     C             5.64073             2.36679             3.89226
     C             5.48854            -0.44797             3.40733
     C             7.13594             1.88611             5.07256
     C             1.89772             3.70942             3.34523
     C             3.08738             3.55144             3.19789
     C             7.41531             5.26643             2.91154
     C             4.21893             2.71847             3.57123
     C             6.71179             6.55092            -0.58864
     H             6.67154             6.84377            -1.42659
     C             7.10953             4.44908             4.17297
     H             8.54374             4.84446             1.24521
     C             7.64037             3.05242             4.10734
     H             8.70533             2.94593             4.09425
     C             7.61932             0.32404             4.77449
     H             7.27347            -0.02240             5.86550
           70
 Energy:   -411.4875781213810    
     C             4.09912             4.35533             0.56525
     C             2.80012             4.20561             0.88805
     C             1.85623             5.30309             1.08699
     C             2.76067             6.49526             1.31147
     C             3.85960             5.86410             0.81082
     C             5.84997             1.24388             1.43085
     C             4.81399             1.97385             0.85472
     C             4.93232             3.36120             0.86269
     C             6.44068             3.86178             1.08094
     C             6.74413             2.33761             1.40711
     C             0.90450             1.01143             1.78964
     C             1.15426             2.60485             1.61497
     C             2.33416             2.88244             0.90364
     C             3.32989             1.81838             1.00013
     C             2.48582             0.56955             1.25050
     C             0.75285             4.62039             4.21225
     C             0.78460             5.71970             3.15560
     C             0.58943             4.90714             1.97994
     C             0.20923             3.54241             2.18468
     C             0.48267             2.93771             3.83218
     C             3.85720             7.18488             4.97541
     C             4.07360             7.20070             3.45617
     C             2.89245             7.29721             2.71356
     C             1.81611             6.80271             3.51741
     C             2.23835             6.85516             4.91153
     C             7.45996             5.06353             1.62937
     C             7.00535             6.00287             0.36132
     C             5.07651             6.51499             1.24140
     C             5.23365             7.08700             2.54073
     C             6.30140             6.43542             3.38274
     C             4.31467             0.77555             5.38372
     C             3.11095             1.30875             5.95833
     C             3.26157             2.47303             6.69832
     C             4.75436             2.87230             6.29699
     C             5.66089             1.84568             5.44721
     C             2.72471            -0.55233             2.26481
     C             2.71452            -0.40640             3.72870
     C             4.19257            -0.41386             4.18683
     C             7.06538            -0.00281             3.49789
     C             6.01170             1.04147             3.04258
     C            -0.03233             1.49911             4.48304
     C             0.66539             2.01169             5.74285
     C             1.79820             0.86200             5.49203
     C             1.47227             0.05696             4.18995
     C             0.39106             0.50958             3.22273
     C             2.03163             5.59984             5.86351
     C             2.98386             5.17163             7.01868
     C             2.28863             3.50801             7.17613
     C             1.04321             3.41058             6.34367
     C             0.76374             4.80653             5.67819
     C             5.90305             6.12017             4.66589
     C             6.32046             4.54546             5.38076
     C             5.28866             4.32058             6.27537
     C             4.39160             5.29100             6.59637
     C             4.85598             6.54122             5.77098
     C             5.40296             2.25840             3.78767
     C             5.44748            -0.36314             3.56337
     C             7.20490             1.85989             4.98319
     C             1.78804             3.57562             3.36674
     C             3.04107             3.41335             2.94143
     C             7.19190             5.18695             3.10251
     C             4.16663             2.87252             3.32057
     C             6.60618             6.50201            -0.68130
     H             6.20152             6.50916            -1.47307
     C             7.35630             4.25643             4.27879
     H             8.36633             4.74378             0.90259
     C             7.72229             2.93292             4.42719
     H             8.56681             2.86745             3.84577
     C             7.50561             0.38709             4.85900
     H             6.70378            -0.20078             5.64420
           70
 Energy:   -411.0601575530662    
     C             4.02430             4.40084             0.67234
     C             2.61792             4.08992             0.89403
     C             1.83123             5.19682             1.21131
     C             2.70903             6.50137             1.33836
     C             4.11204             5.71285             0.88073
     C             5.84925             1.15068             1.22319
     C             4.61986             2.02462             0.71215
     C             5.25240             3.39500             0.66939
     C             6.53753             3.89679             0.90760
     C             6.75646             2.48135             1.53370
     C             0.97924             0.87011             1.74224
     C             1.03621             2.40337             1.45006
     C             2.32639             2.72202             0.99562
     C             3.22635             1.63193             0.83747
     C             2.56845             0.56411             1.65193
     C             0.79959             4.42942             4.26857
     C             0.80071             5.78121             3.37396
     C             0.70673             5.02513             1.94477
     C             0.47447             3.53731             2.12240
     C             0.14833             3.19186             3.58993
     C             3.80351             7.24867             5.02248
     C             4.22715             7.53669             3.52420
     C             2.80581             7.34274             2.55597
     C             1.68668             6.96077             3.54888
     C             2.36189             6.99646             4.96458
     C             7.22599             5.16822             1.72373
     C             6.90803             6.20150             0.47004
     C             4.98746             6.65061             1.31432
     C             5.31812             7.00921             2.66615
     C             6.25519             6.34086             3.40475
     C             4.39967             0.60578             5.28031
     C             3.08582             1.22927             5.86907
     C             3.54140             2.61517             6.27794
     C             4.92276             2.83265             6.30499
     C             5.41708             1.84221             5.26255
     C             2.88650            -0.62446             2.26464
     C             2.76243            -0.49896             3.65610
     C             4.18743            -0.31066             4.31458
     C             7.00186            -0.06182             3.63028
     C             5.92756             1.07973             2.80365
     C             0.07153             1.71117             4.14269
     C             0.58412             1.99807             5.77902
     C             1.64814             0.92438             5.61052
     C             1.55015             0.22068             4.30202
     C             0.54620             0.59612             3.12242
     C             2.07294             5.83717             6.08457
     C             2.93699             4.72313             7.11236
     C             2.52273             3.47623             7.06742
     C             0.93338             3.32107             6.56146
     C             0.95956             4.78703             5.76717
     C             5.91387             6.14441             4.92425
     C             6.21133             4.84762             5.07183
     C             5.21516             4.08926             6.14096
     C             4.27719             5.39416             6.64273
     C             4.94146             6.52846             5.98586
     C             5.02169             2.00793             3.77250
     C             5.48149            -0.39347             3.65008
     C             7.10023             1.74567             5.11570
     C             1.86305             3.63795             3.50320
     C             3.05996             3.23163             2.76426
     C             7.04375             5.20770             3.23355
     C             4.35330             3.00223             3.09568
     C             6.47421             6.40300            -0.81682
     H             5.84099             6.51190            -1.45932
     C             7.35261             4.15792             4.39708
     H             8.41119             4.70702             1.44533
     C             8.09093             2.81043             4.53364
     H             8.58656             2.31059             3.71762
     C             7.35630             0.37656             4.85742
     H             7.76260            -0.36333             5.71272
           70
 Energy:   -409.6484745174103    
     C             3.96239             4.36664             0.71669
     C             2.57418             3.97452             0.78319
     C             1.92052             5.28490             1.23596
     C             2.73694             6.37229             1.38892
     C             4.19269             5.90844             0.97217
     C             5.85715             1.33504             1.20390
     C             4.55208             1.94825             0.58862
     C             5.08673             3.52909             0.32034
     C             6.72021             3.79279             0.98065
     C             6.94798             2.45971             1.59557
     C             1.21905             0.90041             1.93078
     C             0.81774             2.14945             1.27465
     C             2.23458             2.56035             0.82232
     C             3.23658             1.41295             0.84384
     C             2.49096             0.52612             1.67573
     C             0.78800             4.50302             4.39691
     C             0.81653             5.81388             3.41864
     C             0.82568             5.03787             2.15939
     C             0.45358             3.51220             2.03711
     C            -0.09336             3.37281             3.37147
     C             3.87040             7.38370             4.92208
     C             4.05213             7.76063             3.35644
     C             2.76586             7.28369             2.59036
     C             1.65771             6.98589             3.77263
     C             2.44903             6.87416             5.22339
     C             7.10268             5.07228             1.55449
     C             6.76519             6.30297             0.45046
     C             5.20671             6.87779             1.46321
     C             5.31671             7.05973             2.85494
     C             6.17768             6.27064             3.82687
     C             4.32361             0.70151             5.41829
     C             3.00604             1.23738             5.87922
     C             3.52641             2.51878             6.21604
     C             4.95966             2.78199             6.10213
     C             5.43717             1.79813             5.09536
     C             3.01266            -0.65782             2.31850
     C             3.01856            -0.61393             3.81252
     C             4.24783            -0.36031             4.25016
     C             6.74558            -0.00586             3.64534
     C             5.83542             0.78703             2.72284
     C             0.30251             2.14997             4.09846
     C             0.50766             2.00832             5.51505
     C             1.59828             1.00126             5.52537
     C             1.71403             0.23738             4.29252
     C             0.67382             0.78815             3.24380
     C             2.00914             5.94673             6.31851
     C             2.90054             4.88485             6.96046
     C             2.60120             3.28250             6.73885
     C             0.98088             3.18934             6.60513
     C             1.26189             4.56400             5.89936
     C             5.92118             6.38101             5.17254
     C             6.12500             4.72813             5.07043
     C             5.31018             4.28236             5.98923
     C             4.36832             5.20051             6.70831
     C             4.66950             6.66333             5.87239
     C             4.85325             1.80506             3.54907
     C             5.30881            -0.47493             3.47395
     C             6.94648             1.80770             5.29617
     C             2.09325             3.54435             3.59891
     C             3.03685             3.19086             2.87933
     C             7.00857             5.13317             3.23227
     C             4.43778             3.00887             2.92267
     C             6.36871             6.31809            -0.68019
     H             5.89848             6.52834            -1.40989
     C             7.33540             4.10285             4.37477
     H             8.35456             5.24033             1.75611
     C             8.07903             2.65013             4.60514
     H             9.14849             2.12615             4.26163
     C             7.48995             0.23461             4.94580
     H             8.53454             0.06501             5.17452
           70
 Energy:   -408.9894390973145    
     C             4.11550             4.52841             0.61520
     C             2.54778             3.94987             0.69085
     C             1.87846             5.19716             1.23834
     C             2.91767             6.37854             1.57594
     C             4.21836             6.12209             1.06422
     C             5.87317             1.63104             1.41189
     C             4.79051             1.92094             0.46731
     C             5.13257             3.46502             0.29563
     C             6.38231             3.58737             0.95186
     C             6.99492             2.37157             1.41187
     C             1.16806             1.04303             2.13371
     C             0.76972             2.22230             1.19489
     C             2.04989             2.57152             0.50708
     C             3.28943             1.45957             0.85148
     C             2.56607             0.24849             1.53212
     C             0.88237             4.47113             4.33412
     C             0.85824             5.79898             3.52489
     C             0.93177             4.91060             2.24093
     C             0.21901             3.52718             1.93100
     C            -0.05913             3.61579             3.42632
     C             3.66873             7.53469             4.80270
     C             3.85988             7.69992             3.38592
     C             2.64771             7.22854             2.79844
     C             1.77473             6.80846             3.94761
     C             2.36965             6.82131             5.31770
     C             7.10340             5.06034             1.60620
     C             6.78592             6.15473             0.51777
     C             5.26952             6.98128             1.65815
     C             5.20592             7.25407             3.05482
     C             6.19932             6.27358             3.80191
     C             4.29384             0.57546             5.32926
     C             3.03847             1.20194             5.91486
     C             3.45934             2.52971             6.41211
     C             4.73760             2.94480             5.76833
     C             5.46885             1.73306             4.91817
     C             3.05149            -0.66441             2.45345
     C             2.91278            -0.60974             3.81180
     C             4.26186            -0.39490             4.51452
     C             6.69598            -0.06271             3.79330
     C             5.60313             0.65958             2.46438
     C             0.31788             2.35456             3.99503
     C             0.70923             2.15045             5.44105
     C             1.73301             0.98377             5.38711
     C             1.79517             0.07766             4.19550
     C             0.92775             1.09443             3.56654
     C             1.92376             5.93625             6.35470
     C             3.09501             5.02349             6.79880
     C             2.46005             3.57697             6.59028
     C             0.98264             2.90598             6.38220
     C             1.30113             4.46804             5.85922
     C             5.98251             6.38132             5.51134
     C             6.32186             4.79776             5.15772
     C             5.16380             4.11969             6.12745
     C             4.39498             5.27642             6.54505
     C             4.49894             6.62999             5.80576
     C             5.04759             1.75574             3.37706
     C             5.21828            -0.70949             3.21123
     C             7.06771             1.53372             5.21301
     C             1.98191             3.64881             3.82959
     C             3.14197             3.24414             2.98033
     C             6.85138             5.15395             3.13810
     C             4.36126             2.78560             2.83081
     C             6.21506             6.32688            -0.66401
     H             6.07450             6.41333            -1.63899
     C             7.37643             3.94545             4.19446
     H             8.30780             5.28202             1.37954
     C             7.71395             2.69661             4.76319
     H             8.83594             2.76155             5.13100
     C             7.53096             0.40264             4.92349
     H             8.49868             0.30074             4.73011
           70
 Energy:   -410.2257999469992    
     C             4.17061             4.74660             0.43845
     C             2.69954             4.13164             0.49810
     C             2.05053             5.18138             1.35768
     C             2.74232             6.33733             1.78655
     C             4.35493             6.05798             1.11854
     C             5.80754             1.49437             1.45552
     C             4.80509             2.00568             0.51192
     C             5.09639             3.41063             0.41574
     C             6.37513             3.83762             1.02472
     C             7.07987             2.48530             1.16772
     C             1.23896             1.16748             1.98565
     C             0.85043             2.43129             1.31788
     C             2.12851             2.59410             0.32584
     C             3.25303             1.58696             0.67251
     C             2.45402             0.30746             1.50066
     C             0.88681             4.55918             4.40661
     C             0.90140             5.70956             3.58233
     C             0.92470             4.87870             2.16702
     C            -0.01010             3.54637             1.87618
     C            -0.01673             3.60471             3.53589
     C             3.47581             7.55348             5.07211
     C             3.82133             7.59391             3.62141
     C             2.63231             7.10503             2.95508
     C             1.80692             6.59009             3.92312
     C             2.16298             6.91519             5.29011
     C             7.04677             4.84990             1.62980
     C             6.68309             5.90782             0.48221
     C             5.21479             6.98284             1.75112
     C             5.19536             7.30099             3.15664
     C             6.10429             6.40098             3.87843
     C             4.49892             0.59465             5.30518
     C             3.18666             1.24649             6.05812
     C             3.40410             2.63483             6.51122
     C             4.44165             2.87634             5.58324
     C             5.31480             1.65170             4.82775
     C             3.07504            -0.76926             2.39373
     C             2.90111            -0.65794             3.83024
     C             4.15214            -0.79912             4.34624
     C             6.49147            -0.19201             3.69945
     C             5.62093             0.41447             2.56027
     C             0.20710             2.32595             4.09678
     C             0.98530             1.90281             5.40558
     C             1.92829             0.91715             5.42576
     C             1.69546             0.03714             4.32504
     C             1.15609             1.21739             3.26826
     C             1.98256             5.89367             6.24721
     C             3.01693             5.10553             6.73951
     C             2.45773             3.74176             6.62102
     C             0.94068             3.07934             6.38219
     C             1.12464             4.59069             5.76807
     C             6.05127             6.25072             5.37100
     C             6.55308             4.86303             5.33187
     C             5.29577             4.22094             6.02452
     C             4.28918             5.37935             6.34142
     C             4.61840             6.68304             5.74129
     C             5.35121             1.80627             3.38945
     C             5.23201            -0.92446             3.36283
     C             6.85449             1.66017             5.10432
     C             2.10167             3.61369             3.84806
     C             3.13470             3.36110             3.18480
     C             6.71329             5.15149             3.10071
     C             4.23527             2.52517             2.80660
     C             6.16446             6.36927            -0.57729
     H             6.10595             6.28961            -1.70383
     C             7.12518             4.00294             4.05452
     H             8.01632             4.26060             1.66921
     C             7.52412             2.88264             5.01170
     H             8.32202             3.10674             5.79573
     C             7.48657             0.26558             4.48665
     H             8.57113            -0.03299             4.72710
           70
 Energy:   -412.6758150249574    
     C             4.16919             4.71267             0.28180
     C             2.82219             4.35999             0.31980
     C             2.06580             5.07247             1.45722
     C             2.97513             6.24114             1.77535
     C             4.16277             6.03846             1.25433
     C             5.94397             1.32846             1.22686
     C             4.52629             2.06636             0.77680
     C             4.98889             3.73207             0.55385
     C             6.32674             3.65190             0.93461
     C             6.92422             2.44750             1.05670
     C             1.38198             1.30020             1.70036
     C             1.01436             2.65945             1.24038
     C             2.32701             2.91474             0.42665
     C             3.17601             1.56282             0.51056
     C             2.57362             0.62340             1.34309
     C             0.79470             4.44079             4.36395
     C             0.82756             5.55377             3.31439
     C             0.78918             4.99454             2.10244
     C             0.08305             3.63447             2.04468
     C            -0.02242             3.36631             3.61003
     C             3.54371             7.47455             5.51534
     C             3.88741             7.58883             3.85458
     C             2.81772             6.98397             3.02973
     C             1.66261             6.66309             3.90062
     C             2.03951             7.03772             5.26818
     C             7.13663             5.00880             1.73722
     C             6.54335             5.70146             0.47566
     C             5.17661             6.98723             1.77983
     C             5.14369             7.23808             3.17571
     C             6.11956             6.47058             3.73130
     C             4.33265             0.31947             5.34971
     C             3.44111             1.11613             6.13495
     C             3.35863             2.62708             6.42554
     C             4.66371             3.04596             5.57344
     C             5.23258             1.79870             4.88562
     C             2.84836            -0.67546             2.19037
     C             2.80193            -0.82647             3.69409
     C             4.11646            -0.79523             4.52364
     C             6.55979            -0.57442             3.56934
     C             5.63945             0.30841             2.61746
     C             0.29110             2.02326             4.15497
     C             1.00391             2.03310             5.70055
     C             2.07504             0.84837             5.61283
     C             1.76993             0.15479             4.25506
     C             1.07627             1.09179             3.27471
     C             1.79287             5.90768             6.09083
     C             2.91684             5.11862             6.75821
     C             2.42228             3.63897             6.84891
     C             1.04425             3.33267             6.36063
     C             0.83835             4.83774             5.92725
     C             6.02956             6.29772             5.11719
     C             6.66698             4.73496             5.57510
     C             5.25012             4.31777             5.76143
     C             4.34484             5.30935             6.22773
     C             4.82554             6.82067             5.75883
     C             5.28716             1.86633             3.19794
     C             5.22846            -1.15398             3.50662
     C             6.77944             1.64349             4.95405
     C             2.08724             3.65041             3.91613
     C             3.35411             3.32631             3.27489
     C             6.56988             5.25675             3.18795
     C             4.16115             2.34393             2.88748
     C             6.22758             6.31639            -0.41796
     H             5.74978             6.59439            -1.54044
     C             6.79602             4.25233             4.14086
     H             7.99721             4.51432             1.67017
     C             7.40807             3.08548             5.19807
     H             7.88835             3.46558             6.04425
     C             7.37643             0.46881             4.25887
     H             8.19142            -0.18177             4.87723
           70
 Energy:   -405.3464607325620    
     C             4.10248             4.92755             0.31743
     C             2.64041             4.44908             0.31773
     C             2.01943             5.17854             1.29752
     C             2.93582             6.06939             1.96761
     C             4.30902             6.02787             1.09447
     C             5.74734             1.12439             1.24852
     C             4.60356             2.19488             0.94255
     C             4.96970             3.57100             0.71415
     C             6.47609             3.70672             0.97779
     C             6.74628             2.15613             0.99498
     C             1.29972             1.41961             1.90266
     C             1.17693             2.87886             1.13715
     C             2.44729             3.10954             0.47576
     C             3.26852             1.89446             0.36187
     C             2.69278             0.67918             1.18152
     C             0.63328             4.33652             4.33104
     C             0.78264             5.63807             3.36137
     C             0.72072             5.03997             1.91822
     C             0.44641             3.64140             2.23363
     C             0.01057             3.00072             3.57024
     C             3.58397             7.56313             5.50476
     C             3.98460             7.50770             4.04044
     C             2.88512             6.88527             3.11616
     C             1.52692             6.80276             3.68794
     C             2.04087             7.00082             5.29421
     C             7.10098             4.88574             1.84843
     C             6.46740             5.63882             0.51945
     C             5.03884             6.97459             1.67927
     C             5.12795             7.26636             3.06508
     C             6.18389             6.49629             3.68331
     C             4.46571             0.47022             5.31579
     C             3.36735             1.01730             6.13640
     C             3.63832             2.61469             6.27952
     C             4.80301             2.98479             5.67699
     C             5.17636             1.58011             4.86018
     C             2.60989            -0.44975             1.99186
     C             2.70706            -0.81720             3.51569
     C             4.00689            -0.77329             4.52020
     C             6.86298            -0.76892             3.37171
     C             5.68056             0.21768             2.49834
     C             0.45578             1.83157             4.28308
     C             0.91937             2.17009             5.79511
     C             1.98917             0.85231             5.71135
     C             2.01346             0.27228             4.12091
     C             0.93973             0.84094             3.31281
     C             1.60335             5.87602             6.18394
     C             2.87863             5.00936             6.67111
     C             2.57006             3.58179             7.02498
     C             1.21780             3.60385             6.36328
     C             0.45454             4.92642             5.87756
     C             6.13886             6.22786             5.12664
     C             6.64845             4.87136             5.80064
     C             5.05848             4.39556             5.66661
     C             4.30995             5.44081             6.20706
     C             4.91851             6.63927             5.99108
     C             5.22775             1.53610             3.29423
     C             5.12512            -1.04265             3.47500
     C             6.79608             1.80703             4.77655
     C             2.14640             3.72441             3.94589
     C             3.30082             3.29468             3.42022
     C             6.59217             5.24691             3.07093
     C             3.97369             2.38900             2.77963
     C             6.20007             6.31925            -0.46446
     H             5.56901             7.32208            -1.04837
     C             6.69078             4.42003             4.16322
     H             7.99804             5.17551             1.88361
     C             7.13425             3.20572             5.23015
     H             7.63720             3.38431             6.10889
     C             7.30577             0.57037             4.29339
     H             8.49046             0.42613             4.59000
           70
 Energy:   -406.4571158803318    
     C             4.11876             4.65985             0.33542
     C             2.69827             4.54745             0.29399
     C             1.82047             5.56816             1.16178
     C             3.03843             5.95537             2.02147
     C             4.20888             6.09989             1.09996
     C             5.38603             1.01198             1.33053
     C             4.69012             2.19316             0.77521
     C             5.12639             3.63950             0.82434
     C             6.58521             3.39666             1.14451
     C             6.74800             2.00365             0.95294
     C             1.35371             1.41271             2.02418
     C             1.34442             2.66664             1.39026
     C             2.31360             3.13555             0.35690
     C             3.41270             2.09507             0.51511
     C             2.47675             0.92598             1.06468
     C             0.51566             4.36740             4.28004
     C             0.64912             5.72890             3.35348
     C             0.79140             5.07478             2.07672
     C             0.72573             3.58414             2.21774
     C             0.18656             2.91831             3.53477
     C             3.66039             7.48885             5.36247
     C             4.00510             7.36506             3.87148
     C             2.88462             6.80733             3.20569
     C             1.53576             6.87480             3.83166
     C             2.06660             6.91133             5.30188
     C             7.14199             4.77101             1.61020
     C             6.47280             5.76889             0.52326
     C             5.08901             7.15132             1.62181
     C             5.24080             7.28351             3.08755
     C             6.19516             6.49575             3.79597
     C             4.26613             0.40514             5.41554
     C             3.23560             1.18237             6.16046
     C             3.66651             2.42915             6.47536
     C             4.89335             2.81156             5.60627
     C             5.38646             1.57663             4.73992
     C             2.55464            -0.45853             1.97515
     C             2.84092            -0.62278             3.34488
     C             4.11945            -0.73883             4.13874
     C             6.74031            -0.61196             3.32217
     C             5.77964             0.12128             2.43219
     C             0.45136             1.77266             4.41501
     C             0.96649             2.19172             5.74998
     C             1.84968             0.92221             5.54019
     C             2.02657             0.30788             4.26121
     C             0.96023             0.75234             3.30246
     C             1.62852             5.78079             6.28794
     C             2.75547             5.03005             6.61735
     C             2.86066             3.54927             6.87926
     C             1.26122             3.55479             6.35581
     C             0.34087             4.80521             5.74453
     C             6.16456             6.39870             5.27847
     C             6.59101             4.97582             5.82151
     C             5.15708             4.36676             5.73978
     C             4.02539             5.36990             6.33575
     C             4.86771             6.71009             6.02300
     C             4.86088             1.28693             3.29850
     C             5.30891            -0.89834             3.52341
     C             6.76918             1.97290             4.61576
     C             2.03909             3.88497             4.07975
     C             3.14967             3.26834             3.55366
     C             6.57853             5.24509             3.20026
     C             4.09609             2.27636             2.82183
     C             6.08719             6.38751            -0.47583
     H             5.88341             7.65798            -0.87859
     C             6.77326             4.39710             4.32419
     H             7.93382             5.15841             1.80894
     C             6.86094             3.20994             5.10450
     H             7.42754             3.28951             6.01648
     C             7.45589             0.47547             4.25031
     H             8.49501             0.68837             3.95230
           70
 Energy:   -409.8137671682837    
     C             4.32094             4.63446             0.54536
     C             2.64401             4.54917             0.27668
     C             1.76595             5.69208             1.12695
     C             3.02300             6.13991             1.91775
     C             4.27018             6.11482             1.18238
     C             5.48309             1.20416             1.14715
     C             4.67953             2.27450             0.59782
     C             5.33082             3.69275             0.76584
     C             6.63054             3.22087             1.30885
     C             6.68328             1.75988             1.00454
     C             1.42243             1.14630             2.11719
     C             1.41830             2.70500             1.57862
     C             2.14005             3.19351             0.33025
     C             3.09187             2.02994             0.66068
     C             2.49743             0.85488             1.02312
     C             0.39484             4.59844             4.22929
     C             0.53090             5.85566             3.43477
     C             0.89662             5.03696             2.18518
     C             0.79812             3.64422             2.29778
     C             0.37517             3.19896             3.54081
     C             3.67210             7.26034             5.10738
     C             3.96791             7.33041             3.68595
     C             2.80310             6.69755             3.10004
     C             1.59321             6.70466             4.05634
     C             2.13920             6.85629             5.40912
     C             7.01756             4.84694             1.67046
     C             6.50804             5.84336             0.49025
     C             5.16975             7.22438             1.62016
     C             5.30232             7.30497             3.11221
     C             6.24471             6.48924             3.84571
     C             4.10403             0.30508             5.23463
     C             3.16131             1.07443             6.06324
     C             3.75923             2.42061             6.62592
     C             4.85809             2.82897             5.65975
     C             5.24938             1.40835             4.73331
     C             2.61441            -0.37485             1.88281
     C             2.99430            -0.27731             3.38997
     C             4.14770            -0.59165             4.12443
     C             6.89133            -0.30220             3.53962
     C             5.64196             0.15688             2.39939
     C             0.30843             1.81400             4.24181
     C             1.01764             2.14259             5.68094
     C             1.97692             1.09023             5.49454
     C             1.86107             0.16695             4.26188
     C             0.97674             0.89104             3.35945
     C             1.51459             5.67702             6.08428
     C             2.64535             4.91673             6.74315
     C             2.76452             3.46722             6.64416
     C             1.32405             3.34644             6.31867
     C             0.66407             4.67140             5.80015
     C             6.07024             6.63798             5.51514
     C             6.46774             5.24531             5.66766
     C             5.17841             4.15223             5.99296
     C             4.25346             5.40109             6.32535
     C             4.64410             6.76462             5.96156
     C             4.63797             1.11565             3.18802
     C             5.45660            -0.97005             3.55665
     C             6.93731             1.61176             4.43438
     C             2.03584             3.96652             4.13684
     C             3.02824             3.13835             3.57072
     C             6.75301             5.18661             3.13841
     C             3.96874             2.39094             2.96840
     C             6.02211             6.52051            -0.33278
     H             5.98025             7.36020            -1.40633
     C             6.87381             4.39744             4.40502
     H             7.94797             4.60014             1.61321
     C             6.90569             3.05846             5.00933
     H             6.97746             3.09169             6.23325
     C             7.64138             0.58531             4.06162
     H             8.63760             0.44547             3.94939
           70
 Energy:   -410.3667226225096    
     C             4.30016             4.86050             0.73034
     C             2.74658             4.60130             0.39489
     C             1.94411             5.41848             1.16678
     C             2.83928             6.46721             1.59780
     C             4.44824             6.14452             1.23503
     C             5.49163             1.13159             1.05627
     C             4.45490             2.28236             0.56364
     C             5.22705             3.53623             0.61936
     C             6.75329             3.22329             1.37621
     C             6.98642             1.84358             1.13822
     C             1.32692             1.23104             2.05686
     C             1.32718             2.71911             1.61533
     C             2.11941             3.20409             0.41010
     C             3.07528             2.00995             0.46935
     C             2.54522             0.62345             1.06807
     C             0.45065             4.65207             4.42275
     C             0.53668             5.99336             3.53457
     C             0.92689             5.16923             2.13715
     C             0.80023             3.73822             2.40963
     C             0.12611             3.39967             3.61508
     C             3.51811             7.13552             5.03475
     C             3.91361             7.33303             3.61582
     C             2.70560             6.78272             3.03524
     C             1.74680             6.55451             3.96427
     C             2.17992             6.81253             5.35752
     C             6.94865             4.77951             1.77023
     C             6.54077             5.84868             0.58034
     C             5.27373             7.09137             1.66447
     C             5.25677             7.29765             3.03163
     C             6.29684             6.55114             3.90808
     C             4.29749             0.41569             5.14423
     C             3.39326             0.97051             6.06593
     C             3.71165             2.28581             6.44014
     C             4.90037             2.65942             5.78445
     C             5.29806             1.48344             4.71968
     C             2.95994            -0.45411             1.98679
     C             2.94088            -0.17202             3.36586
     C             4.13636            -0.88660             4.33603
     C             6.81228            -0.22562             3.37157
     C             5.54737             0.26015             2.36105
     C             0.23181             2.20155             4.10520
     C             0.85557             1.98995             5.41284
     C             1.97190             0.97759             5.42760
     C             1.79001             0.14828             4.17874
     C             0.81531             0.97479             3.47792
     C             1.77393             5.67653             6.17494
     C             3.04274             4.96635             6.75863
     C             2.57819             3.35902             6.66251
     C             1.25263             3.13622             6.15015
     C             0.92887             4.35118             5.76431
     C             5.92044             6.85057             5.52058
     C             6.24481             5.24400             5.43883
     C             5.35350             4.17227             6.16108
     C             4.26413             5.28273             6.50127
     C             4.51942             6.63419             5.90282
     C             4.72366             1.50525             3.17235
     C             5.40640            -1.05893             3.60326
     C             6.67233             1.51239             4.55872
     C             2.08319             4.10092             4.21207
     C             2.76652             3.20256             3.66068
     C             6.95151             5.19069             3.24462
     C             3.80394             2.38308             3.00985
     C             6.03274             6.68496            -0.22728
     H             5.58455             6.76872            -1.51611
     C             6.94705             4.38066             4.48451
     H             7.86810             4.59706             1.22505
     C             7.10950             2.85296             4.87238
     H             6.71559             2.66959             5.95976
     C             7.99286             0.78564             3.87614
     H             8.90711             0.49964             4.24736
           70
 Energy:   -412.8429788824527    
     C             4.23574             4.68263             0.67644
     C             2.89860             4.31397             0.57829
     C             2.08650             5.43918             1.26697
     C             2.88984             6.78075             1.42187
     C             4.21728             6.26168             1.16485
     C             5.69252             1.09041             1.10760
     C             4.52442             2.10862             0.60914
     C             5.11209             3.51038             0.69019
     C             6.51203             3.40536             1.20775
     C             7.01097             1.89330             1.27929
     C             1.24734             1.42658             1.89449
     C             1.14874             2.78212             1.57959
     C             2.28808             3.08150             0.55192
     C             3.05637             1.83936             0.23348
     C             2.43872             0.64047             1.23754
     C             0.43197             4.75431             4.50548
     C             0.66831             5.85264             3.45763
     C             0.87228             5.24643             2.16266
     C             0.61720             3.84777             2.37021
     C            -0.17513             3.68996             3.56863
     C             3.52022             7.14822             5.17698
     C             3.91246             7.33626             3.60769
     C             2.73965             7.07703             2.78991
     C             1.70573             6.66763             3.79830
     C             2.10884             6.66019             5.19974
     C             7.03837             4.72211             1.82114
     C             6.57445             5.84455             0.64961
     C             5.41648             7.09473             1.81785
     C             5.27393             7.23624             3.15172
     C             6.27897             6.63999             3.89046
     C             4.50185             0.32349             5.23903
     C             3.22961             0.87121             5.90991
     C             3.52649             2.29234             6.32575
     C             4.98972             2.75091             5.91877
     C             5.17192             1.63686             4.64491
     C             3.31865            -0.46717             2.08756
     C             2.97767            -0.49618             3.59279
     C             4.16615            -0.88561             4.33095
     C             6.77940            -0.14453             3.14249
     C             5.32377             0.39510             2.54645
     C             0.16411             2.24645             4.08428
     C             0.87227             1.82131             5.35298
     C             1.95328             0.64326             5.47529
     C             1.78733             0.28561             4.08138
     C             0.63087             1.11070             3.19324
     C             2.06979             5.49345             6.41743
     C             3.08121             4.60480             6.81045
     C             2.69992             3.23755             6.80553
     C             1.22947             2.92461             6.11475
     C             0.96176             4.56307             6.01028
     C             5.87441             6.74306             5.32281
     C             6.09137             5.06834             5.30593
     C             5.38590             4.23000             6.23568
     C             4.50530             5.23471             6.64511
     C             4.50598             6.44127             5.92901
     C             4.91104             1.80362             3.25910
     C             5.32969            -0.85516             3.38680
     C             6.92861             1.53636             4.54598
     C             2.00762             4.35466             4.20331
     C             2.68187             3.16156             3.61464
     C             7.02417             5.32129             3.43991
     C             3.51018             2.40829             3.03546
     C             6.12032             6.64300            -0.11234
     H             5.17301             6.96016            -0.98850
     C             7.07860             4.27257             4.47756
     H             7.99767             5.33336             1.44443
     C             7.31209             2.94805             4.85308
     H             8.02008             3.17939             5.68093
     C             7.97587             0.77944             3.74177
     H             9.01365             0.92409             4.23939
           70
 Energy:   -413.2495438536355    
     C             4.28633             4.59432             0.64918
     C             2.81297             4.24774             0.87788
     C             2.06774             5.57246             1.27992
     C             2.86303             6.72646             1.36218
     C             4.28333             6.27468             0.88573
     C             5.80596             1.15393             1.22620
     C             4.73178             1.85240             0.54716
     C             4.99825             3.40560             0.79599
     C             6.39125             3.60030             1.14923
     C             6.80015             2.17785             1.33527
     C             1.15069             1.47495             1.73401
     C             1.08743             2.97074             1.36380
     C             2.34317             2.84925             0.71089
     C             3.12535             1.58140             0.35847
     C             2.41083             0.71891             1.41767
     C             0.31233             4.88628             4.62213
     C             0.83802             5.77516             3.27067
     C             0.96588             5.16629             2.05953
     C             0.23378             3.91065             2.10717
     C            -0.24293             3.55918             3.62960
     C             3.57176             7.10879             5.13452
     C             3.95007             7.41305             3.82815
     C             2.73313             7.51652             2.78269
     C             1.60884             6.90955             3.63972
     C             2.24393             6.43790             5.25103
     C             7.20131             4.84660             1.93319
     C             6.65605             5.74596             0.71050
     C             5.26042             7.05187             1.75275
     C             5.25527             7.23180             3.21796
     C             6.35264             6.58346             3.90114
     C             4.52118             0.33918             5.31712
     C             3.26851             0.86208             5.78572
     C             3.68518             2.17831             6.26486
     C             4.94753             2.85330             5.95294
     C             5.44462             1.61247             4.87529
     C             3.32435            -0.24559             2.13881
     C             2.93876            -0.85858             3.64107
     C             4.36626            -0.63843             4.29759
     C             6.78028            -0.02772             2.96750
     C             5.28221             0.79203             2.53317
     C             0.03926             2.16528             4.01645
     C             0.94003             1.76693             5.41219
     C             1.69738             0.48384             5.41950
     C             1.72904             0.23869             3.78133
     C             0.75869             1.13079             3.04208
     C             2.09439             5.39202             6.33386
     C             3.22182             4.43830             6.99367
     C             2.61891             3.03896             6.79831
     C             1.30586             3.09530             6.36177
     C             0.88070             4.62987             6.18713
     C             5.93225             6.21192             5.23611
     C             6.17480             4.86392             5.25152
     C             5.39967             4.12755             6.20016
     C             4.38239             5.04937             6.85453
     C             4.64123             6.41336             5.96962
     C             4.74047             1.98265             3.28261
     C             5.30860            -0.75513             3.26292
     C             7.02306             1.77239             4.50624
     C             1.95162             4.38745             4.15357
     C             2.50218             3.35544             3.62803
     C             6.96595             5.45141             3.36000
     C             3.50198             2.34514             3.05959
     C             6.12151             6.54491            -0.04330
     H             5.43377             7.60833            -0.33082
     C             7.10685             4.32959             4.36601
     H             8.38230             4.80370             2.55359
     C             7.68972             3.01031             4.95951
     H             8.75787             2.68990             4.83859
     C             7.58378             0.67294             3.72067
     H             8.73295             0.87650             3.18413
           70
 Energy:   -407.3604309555031    
     C             4.12231             4.64914             0.71863
     C             2.83217             4.36197             0.97799
     C             2.01249             5.38853             1.20796
     C             2.91027             6.67385             1.47945
     C             4.27107             6.19911             0.78013
     C             5.75983             1.38829             1.13963
     C             4.64796             1.76555             0.36864
     C             5.01761             3.30829             0.71627
     C             6.44557             3.86565             1.31667
     C             6.85100             2.50281             1.33706
     C             1.14963             1.46055             1.66232
     C             0.79285             2.81509             1.20238
     C             2.47226             2.92343             0.78341
     C             3.42634             1.49684             0.71772
     C             2.48478             0.82952             1.43997
     C             0.31825             4.75600             4.44954
     C             0.82780             5.89589             3.31913
     C             0.83663             5.13256             2.01366
     C             0.01406             3.86102             1.98366
     C            -0.06250             3.50447             3.57943
     C             3.71710             6.85524             5.18615
     C             3.98571             7.61969             3.82182
     C             2.77941             7.71033             2.81193
     C             1.76077             6.99210             3.94615
     C             2.36465             6.40740             5.07720
     C             7.37386             4.88609             1.91865
     C             6.76279             5.69138             0.75982
     C             5.09576             6.97706             1.68904
     C             5.23252             7.24282             3.10455
     C             6.26576             6.54745             3.94996
     C             4.57973             0.51475             5.12554
     C             3.24841             0.83208             5.74194
     C             3.67874             2.11938             6.33006
     C             4.96582             2.63260             5.82240
     C             5.50597             1.73334             4.90499
     C             3.02563            -0.06393             2.30014
     C             2.96546            -0.89835             3.48855
     C             4.44619            -0.56964             4.23210
     C             6.56680            -0.00181             2.80668
     C             5.43724             0.97317             2.60951
     C             0.21688             2.03071             4.12860
     C             0.73261             2.04676             5.41061
     C             1.76278             0.63082             5.15655
     C             1.64406             0.00832             3.73856
     C             0.87233             1.15999             3.14059
     C             2.09927             5.33937             6.18422
     C             2.94039             4.55559             7.08397
     C             2.77283             2.97464             6.82932
     C             1.17924             3.12669             6.42846
     C             0.77131             4.45017             6.06565
     C             5.89654             5.89902             5.21475
     C             6.35671             4.50522             5.44834
     C             5.31132             3.93929             6.20392
     C             4.52800             4.97341             6.87427
     C             4.74329             6.36573             6.03927
     C             4.69473             1.88633             3.73654
     C             5.31996            -0.55559             3.18236
     C             7.01571             1.92986             4.57287
     C             1.73204             4.34085             4.21760
     C             2.52130             3.41309             3.52273
     C             6.99187             5.40318             3.23600
     C             3.38341             2.53362             3.27583
     C             6.26725             6.47606             0.01861
     H             6.05082             7.68594            -0.04849
     C             7.26664             4.29115             4.32405
     H             8.28847             3.81052             1.81926
     C             8.06537             3.01677             4.71958
     H             9.23961             3.08233             4.45503
     C             7.33120             0.83015             3.72787
     H             8.43032             0.67082             3.23939
           70
 Energy:   -441.3803188482943    
     C             4.09290             4.72255             0.66557
     C             2.71018             4.30813             0.84979
     C             1.96836             5.44298             1.36736
     C             2.82624             6.57737             1.61059
     C             4.17653             6.14149             1.11982
     C             5.78761             1.57494             1.16587
     C             4.68307             2.25326             0.49058
     C             5.15877             3.71831             0.60087
     C             6.47393             3.83756             1.23060
     C             6.94885             2.45039             1.29373
     C             1.14079             1.37125             1.83880
     C             0.90008             2.72954             1.31203
     C             2.27421             3.00599             0.79055
     C             3.26310             1.86514             0.67313
     C             2.46838             0.82487             1.40815
     C             0.18290             4.67914             4.42645
     C             0.68999             5.83195             3.40559
     C             0.77369             5.20582             2.08336
     C             0.32066             3.80578             2.06509
     C            -0.01128             3.42963             3.46388
     C             3.79111             6.91600             5.16393
     C             4.03984             7.47923             3.79876
     C             2.77809             7.25821             2.98218
     C             1.77482             6.68549             3.88619
     C             2.40858             6.41876             5.17670
     C             7.35852             4.88926             1.94839
     C             6.90756             5.80195             0.73372
     C             5.21555             6.92347             1.70603
     C             5.31254             7.14584             3.10684
     C             6.21512             6.27111             3.85508
     C             4.36735             0.42410             5.04360
     C             3.23194             1.02809             5.67700
     C             3.50956             2.20271             6.48874
     C             4.92360             2.59292             6.14923
     C             5.49789             1.68801             4.90734
     C             2.88899            -0.27145             2.20323
     C             2.87307            -0.70522             3.60234
     C             4.32870            -0.59821             4.09047
     C             6.73869             0.16037             2.97037
     C             5.36746             0.92516             2.46757
     C             0.37415             2.14338             4.04303
     C             0.93880             1.97917             5.35066
     C             1.92534             0.84508             5.23839
     C             1.69520             0.07188             4.05122
     C             0.81731             1.01471             3.20170
     C             2.02190             5.35506             6.12869
     C             2.98779             4.55186             6.84461
     C             2.54174             3.16714             6.87538
     C             1.21554             3.09549             6.26093
     C             0.85051             4.45326             5.86183
     C             5.96665             5.96030             5.26854
     C             6.37390             4.57781             5.48527
     C             5.39121             3.91024             6.34860
     C             4.39428             4.94045             6.71484
     C             4.71962             6.17493             5.92122
     C             4.71298             1.81970             3.50960
     C             5.30059            -0.56606             3.05739
     C             7.06319             1.79416             4.53027
     C             1.73716             4.26265             4.03172
     C             2.61419             3.43691             3.45655
     C             7.13820             5.23381             3.38469
     C             3.57901             2.49682             3.36239
     C             6.30911             6.58704             0.03687
     H             5.70326             7.22160            -0.65520
     C             7.28715             4.25729             4.46310
     H             8.48261             4.84246             1.73324
     C             7.83276             2.96991             4.51835
     H             8.94165             2.87311             4.51280
     C             7.66347             0.78412             3.71305
     H             8.74601             0.59197             3.58026
           70
 Energy:   -445.3614784059531    
     C             4.14235             4.86447             0.66068
     C             2.71023             4.47512             0.57363
     C             1.92046             5.47723             1.30699
     C             2.89009             6.51389             1.71100
     C             4.21268             6.22336             1.15773
     C             5.64274             1.61494             1.19143
     C             4.54493             2.43679             0.76228
     C             5.10874             3.83736             0.74864
     C             6.48628             3.83917             1.08561
     C             6.83293             2.43353             1.14463
     C             1.27845             1.34932             1.89278
     C             1.11266             2.71303             1.47667
     C             2.24359             3.13334             0.67197
     C             3.20217             2.04926             0.77155
     C             2.53824             0.81153             1.27303
     C             0.14195             4.65468             4.41907
     C             0.64812             5.76398             3.42688
     C             0.79988             5.08232             2.13128
     C             0.44100             3.66924             2.24292
     C            -0.08609             3.32452             3.56668
     C             3.65726             6.89849             5.16135
     C             4.01206             7.16211             3.78931
     C             2.79258             7.00185             3.04016
     C             1.70083             6.58873             3.89387
     C             2.23803             6.48483             5.22722
     C             7.41655             4.84325             1.87652
     C             6.81638             5.94616             0.85526
     C             5.30519             6.87276             1.76162
     C             5.31803             7.00780             3.16215
     C             6.27843             6.27134             3.88527
     C             4.32850             0.53902             5.04948
     C             3.26693             0.97659             5.88228
     C             3.65973             2.24254             6.47801
     C             5.00564             2.64002             6.06189
     C             5.56915             1.68603             4.89561
     C             2.89568            -0.43747             1.87054
     C             2.84936            -0.41313             3.34890
     C             4.10237            -0.40053             4.03456
     C             6.70922            -0.15062             3.08515
     C             5.44796             0.75335             2.42518
     C             0.30250             2.06773             4.07142
     C             0.94799             2.02827             5.37492
     C             1.93498             0.85872             5.33388
     C             1.74191             0.18812             4.03351
     C             0.83708             0.98661             3.22055
     C             1.92721             5.40011             6.09937
     C             2.97282             4.64066             6.76684
     C             2.67107             3.26050             6.72920
     C             1.34569             3.13927             6.10996
     C             0.89401             4.46554             5.76654
     C             5.93968             6.01388             5.26595
     C             6.42806             4.66199             5.59150
     C             5.36495             3.98669             6.30220
     C             4.32280             5.00250             6.58296
     C             4.65584             6.20569             5.87640
     C             4.81888             1.69228             3.51681
     C             5.19621            -0.63722             3.20503
     C             7.06856             1.75338             4.61421
     C             1.71731             4.12831             3.96238
     C             2.73116             3.37680             3.57658
     C             7.06418             5.14309             3.34118
     C             3.77327             2.53848             3.36664
     C             6.31090             6.60230            -0.03340
     H             5.89973             7.26340            -0.77611
     C             7.20507             4.19657             4.44579
     H             8.46890             4.73161             1.66408
     C             7.84141             2.94136             4.48694
     H             8.86460             2.86327             4.12407
     C             7.55764             0.64028             3.86684
     H             8.62216             0.51598             3.73731
           70
 Energy:   -444.8938112613438    
     C             4.04555             4.88109             0.46493
     C             2.62964             4.50277             0.51350
     C             1.84263             5.48682             1.21125
     C             2.79155             6.55987             1.63581
     C             4.11022             6.24285             1.05316
     C             5.75483             1.54170             1.16680
     C             4.59681             2.37236             0.85647
     C             5.01070             3.86147             0.78883
     C             6.43523             3.77025             1.17427
     C             6.92256             2.41802             1.02309
     C             1.20811             1.44367             1.84294
     C             1.12761             2.79935             1.37054
     C             2.30389             3.14647             0.64761
     C             3.21795             2.03564             0.70984
     C             2.49040             0.94556             1.32764
     C             0.17619             4.56537             4.43326
     C             0.77690             5.63423             3.49817
     C             0.88950             5.04759             2.17271
     C             0.35139             3.70153             2.15018
     C            -0.13916             3.26154             3.52666
     C             3.69039             6.85943             5.20031
     C             3.94909             7.19250             3.77621
     C             2.69862             7.04177             2.97651
     C             1.64410             6.63390             3.92007
     C             2.18953             6.54736             5.30766
     C             7.27787             4.86981             1.88626
     C             6.85574             6.02231             0.86152
     C             5.14219             6.92385             1.71413
     C             5.21140             6.95191             3.15110
     C             6.24897             6.27513             3.87717
     C             4.37096             0.47899             5.10059
     C             3.29674             1.04167             5.79203
     C             3.64577             2.30886             6.39512
     C             4.98403             2.66857             6.03513
     C             5.58300             1.57464             4.97561
     C             2.94611            -0.27288             1.89491
     C             2.87435            -0.43292             3.34238
     C             4.11058            -0.51487             4.03970
     C             6.70595            -0.22075             3.26829
     C             5.63706             0.83339             2.48830
     C             0.23207             2.01631             4.09710
     C             0.95496             1.92680             5.39861
     C             1.96362             0.81899             5.30507
     C             1.82131             0.29377             3.95647
     C             0.89128             1.08244             3.20662
     C             1.86466             5.44064             6.19734
     C             3.03442             4.67850             6.74142
     C             2.65373             3.29996             6.68157
     C             1.33988             3.09224             6.12064
     C             0.84327             4.42976             5.81334
     C             6.08499             6.04338             5.30338
     C             6.49782             4.61781             5.56289
     C             5.40708             3.98246             6.24023
     C             4.40815             5.03571             6.67460
     C             4.80921             6.30509             5.99713
     C             4.85535             1.69670             3.57187
     C             5.18615            -0.62513             3.11106
     C             7.05446             1.55488             4.67746
     C             1.67807             3.93592             4.03282
     C             2.81455             3.37295             3.73968
     C             7.00483             5.13458             3.34018
     C             3.86579             2.58741             3.40196
     C             6.40133             6.69467            -0.04203
     H             5.92603             7.18579            -0.86588
     C             7.21685             4.11554             4.37321
     H             8.30197             4.73828             1.78983
     C             7.68982             2.74949             4.38612
     H             8.73345             2.65212             4.15820
     C             7.57974             0.37273             4.16518
     H             8.57983             0.00668             4.30865
           70
 Energy:   -445.2402832418585    
     C             4.04501             4.82998             0.66275
     C             2.58489             4.47028             0.57168
     C             1.83721             5.49172             1.25546
     C             2.71409             6.61744             1.67907
     C             4.02638             6.27662             1.07720
     C             5.76895             1.55430             1.24628
     C             4.61589             2.30611             0.67010
     C             4.99442             3.78592             0.66308
     C             6.40049             3.83762             1.10123
     C             6.89630             2.51346             1.22758
     C             1.20093             1.36813             1.81455
     C             0.90429             2.71747             1.27654
     C             2.12393             3.12475             0.56176
     C             3.18250             2.05633             0.68905
     C             2.51719             0.92656             1.32326
     C             0.19629             4.60340             4.49807
     C             0.70273             5.70881             3.48407
     C             0.73096             5.13724             2.11729
     C             0.28772             3.74345             2.11008
     C            -0.08642             3.39508             3.50408
     C             3.75472             6.94935             5.16700
     C             4.01195             7.31293             3.75636
     C             2.72256             7.08858             3.01848
     C             1.74619             6.53773             3.96431
     C             2.38341             6.45031             5.26832
     C             7.23287             4.95991             1.73767
     C             6.92210             6.19512             0.92166
     C             5.15141             6.86307             1.68812
     C             5.23608             6.96707             3.09101
     C             6.19881             6.18306             3.77731
     C             4.40250             0.41635             5.06060
     C             3.27109             1.00698             5.67936
     C             3.62856             2.24786             6.36213
     C             4.99141             2.64255             6.06866
     C             5.61549             1.59389             5.06836
     C             2.97709            -0.23860             1.98643
     C             2.89146            -0.45644             3.39631
     C             4.23227            -0.49617             3.97764
     C             6.87483            -0.15404             3.28188
     C             5.67607             0.84406             2.53106
     C             0.29721             2.14857             3.98311
     C             0.95090             2.05638             5.31472
     C             1.89871             0.92824             5.23196
     C             1.70676             0.16797             3.98380
     C             0.81716             1.02984             3.16186
     C             2.02553             5.37749             6.14701
     C             3.03971             4.56823             6.79625
     C             2.65100             3.19246             6.71793
     C             1.26237             3.12411             6.28155
     C             0.85005             4.49925             5.90842
     C             5.97798             6.00181             5.20825
     C             6.42525             4.61408             5.52840
     C             5.42576             3.94148             6.35707
     C             4.35672             4.95752             6.59477
     C             4.71163             6.18967             5.86741
     C             5.03331             1.77332             3.62449
     C             5.37486            -0.70156             3.08046
     C             7.11037             1.53916             4.89528
     C             1.70961             3.92112             4.21772
     C             2.81050             3.29267             3.76368
     C             6.93536             5.04641             3.24959
     C             3.91065             2.54620             3.54176
     C             6.49894             6.85082             0.00822
     H             6.24538             7.48213            -0.85690
     C             7.07927             4.06200             4.32242
     H             8.26539             4.75171             1.64224
     C             7.65137             2.73531             4.35701
     H             8.41343             2.58010             3.60501
     C             7.50602             0.25823             4.45231
     H             8.32591            -0.31254             4.88997
           70
 Energy:   -445.6614517818732    
     C             3.97077             4.78551             0.62027
     C             2.56748             4.45300             0.68078
     C             1.82880             5.53486             1.31395
     C             2.83965             6.50998             1.65540
     C             4.16294             6.10434             1.15562
     C             5.64516             1.68669             1.39172
     C             4.51890             2.36920             0.77897
     C             4.95193             3.78761             0.63337
     C             6.36932             3.90796             1.00912
     C             6.78978             2.55232             1.20480
     C             1.13765             1.39381             1.79212
     C             0.98198             2.79903             1.37068
     C             2.16373             3.13781             0.65703
     C             3.13639             2.00650             0.66288
     C             2.39777             0.83818             1.21700
     C             0.28871             4.64254             4.40647
     C             0.69041             5.76967             3.42635
     C             0.64123             5.19851             2.09706
     C             0.32989             3.76927             2.16762
     C            -0.02137             3.37754             3.53097
     C             3.71117             6.82372             5.11006
     C             4.02410             7.29603             3.74524
     C             2.80353             7.11842             2.96044
     C             1.74699             6.62845             3.84057
     C             2.31339             6.38223             5.17386
     C             7.20545             5.01748             1.64940
     C             6.97927             6.35215             0.93104
     C             5.20091             6.92312             1.65595
     C             5.31279             7.08077             3.06495
     C             6.17976             6.10734             3.70766
     C             4.32073             0.48567             5.05161
     C             3.24273             1.03561             5.79183
     C             3.63139             2.20450             6.54563
     C             4.99723             2.53001             6.29319
     C             5.59263             1.62782             5.17821
     C             2.95340            -0.31689             1.85066
     C             2.93925            -0.42203             3.28249
     C             4.16150            -0.42080             4.02053
     C             6.80505            -0.06900             3.36663
     C             5.66596             0.93551             2.62706
     C             0.34232             2.08511             4.02308
     C             1.06777             1.96543             5.29577
     C             1.99035             0.88239             5.19957
     C             1.86364             0.24747             3.89410
     C             0.80497             0.99261             3.13303
     C             1.95705             5.38906             6.17607
     C             3.02173             4.61269             6.81630
     C             2.63784             3.20257             6.82449
     C             1.34456             3.11962             6.13360
     C             0.85802             4.47085             5.82680
     C             5.94599             5.80427             5.10428
     C             6.38088             4.42693             5.36485
     C             5.38447             3.85179             6.26597
     C             4.41985             4.92964             6.59210
     C             4.73749             6.12342             5.80874
     C             4.99933             1.78928             3.71299
     C             5.33312            -0.52636             3.24826
     C             7.12830             1.62336             4.94866
     C             1.78719             3.90921             4.14800
     C             2.81679             3.15622             3.86415
     C             6.93220             5.00466             3.16673
     C             3.90835             2.52637             3.54549
     C             6.70269             7.21182             0.11913
     H             6.26428             7.86132            -0.67778
     C             7.12292             3.99002             4.17291
     H             8.26920             4.73724             1.49271
     C             7.68160             2.71231             4.27203
     H             8.58229             2.50547             3.67545
     C             7.56944             0.40854             4.43854
     H             8.25341            -0.22193             5.04059
           70
 Energy:   -445.4283251880626    
     C             4.01870             4.92817             0.48781
     C             2.64600             4.49068             0.50786
     C             1.86464             5.52248             1.24164
     C             2.78003             6.57683             1.62010
     C             4.11798             6.30081             1.01948
     C             5.75974             1.62830             1.34985
     C             4.51681             2.34370             0.89561
     C             4.93650             3.80038             0.66686
     C             6.33736             3.88686             0.90746
     C             6.83099             2.54160             1.06445
     C             1.10899             1.33717             1.75384
     C             0.98789             2.74059             1.35616
     C             2.21811             3.13403             0.71472
     C             3.14373             1.99377             0.75970
     C             2.38162             0.81767             1.21037
     C             0.18422             4.63274             4.43574
     C             0.65530             5.78265             3.43937
     C             0.87339             5.06326             2.14945
     C             0.32699             3.71164             2.16270
     C            -0.11742             3.37555             3.48093
     C             3.71763             6.77784             5.10100
     C             3.98375             7.17542             3.73289
     C             2.73515             7.11259             2.99400
     C             1.66313             6.71670             3.92780
     C             2.31390             6.47704             5.26256
     C             7.26036             4.97904             1.51770
     C             7.05610             6.39132             0.82163
     C             5.22495             6.90209             1.62505
     C             5.25906             6.94183             3.03921
     C             6.30325             6.21608             3.73550
     C             4.37525             0.37479             5.20909
     C             3.20915             0.92530             5.97285
     C             3.63179             2.14221             6.68242
     C             4.97131             2.51346             6.37008
     C             5.59234             1.56798             5.33143
     C             2.89981            -0.32893             1.84681
     C             2.91157            -0.31470             3.30547
     C             4.18447            -0.38363             4.01912
     C             6.84609            -0.16968             3.35254
     C             5.78731             0.99372             2.69937
     C             0.28453             2.10369             4.03854
     C             0.95280             2.00656             5.36750
     C             1.90419             0.88280             5.32669
     C             1.82405             0.31517             3.98484
     C             0.89011             1.11729             3.15954
     C             1.97325             5.39166             6.14152
     C             3.03115             4.61145             6.79123
     C             2.64262             3.19735             6.81689
     C             1.32715             3.11602             6.16363
     C             0.92334             4.46723             5.78475
     C             5.91423             5.77515             5.05671
     C             6.27063             4.38320             5.26427
     C             5.38646             3.86244             6.30842
     C             4.42953             4.96475             6.66493
     C             4.74561             6.09774             5.78308
     C             5.03352             1.81269             3.79621
     C             5.29382            -0.51434             3.12768
     C             7.14680             1.60891             4.81718
     C             1.72368             3.95120             4.03282
     C             2.80458             3.22969             3.80296
     C             7.05316             5.09901             3.11380
     C             3.91522             2.47212             3.64245
     C             6.90696             7.50593             0.37423
     H             6.94849             8.54722             0.03569
     C             7.10230             4.01815             4.10645
     H             8.34172             4.62048             1.33418
     C             7.71587             2.74935             4.22854
     H             8.77116             2.67991             3.88707
     C             7.63910             0.36618             4.35563
     H             8.72429             0.17443             4.38268
           70
 Energy:   -445.7201073148986    
     C             4.00081             4.86237             0.50089
     C             2.59392             4.46063             0.55398
     C             1.81791             5.49386             1.26323
     C             2.71654             6.60802             1.55113
     C             4.02592             6.28255             0.89984
     C             5.80979             1.71676             1.30824
     C             4.61606             2.45545             0.82420
     C             5.07321             3.86471             0.62440
     C             6.51327             3.91906             0.92399
     C             6.94184             2.53635             1.03256
     C             1.17793             1.43963             1.87304
     C             1.00053             2.76334             1.34230
     C             2.19356             3.09123             0.55008
     C             3.22840             2.05145             0.80491
     C             2.49301             0.93892             1.44008
     C             0.20645             4.60615             4.50150
     C             0.72711             5.69895             3.44908
     C             0.78362             5.11968             2.12644
     C             0.31843             3.74760             2.15916
     C            -0.13805             3.34249             3.52694
     C             3.73002             6.89508             5.12431
     C             4.00686             7.17252             3.69766
     C             2.74815             7.03761             2.94032
     C             1.76315             6.53851             3.89052
     C             2.34739             6.48073             5.24377
     C             7.31489             5.04785             1.61414
     C             7.02063             6.40681             0.89956
     C             5.12986             6.82403             1.54431
     C             5.24049             6.93524             2.95388
     C             6.18502             6.13274             3.65673
     C             4.35667             0.46260             5.18481
     C             3.22021             0.96202             5.88308
     C             3.62310             2.15605             6.58124
     C             4.98817             2.47034             6.25270
     C             5.70136             1.44183             5.21314
     C             2.87086            -0.25703             2.04747
     C             2.87461            -0.39512             3.47086
     C             4.18573            -0.42073             4.09736
     C             6.86527            -0.15318             3.21926
     C             5.70534             0.94277             2.58756
     C             0.23902             2.08706             4.13946
     C             0.93791             2.00895             5.44806
     C             1.90202             0.91261             5.34007
     C             1.73851             0.27675             4.07566
     C             0.81300             1.07620             3.24674
     C             1.99480             5.39110             6.11073
     C             3.01492             4.57816             6.81063
     C             2.60156             3.17108             6.81221
     C             1.22908             3.10915             6.28719
     C             0.88155             4.49157             5.86854
     C             5.91200             5.88021             5.05514
     C             6.31377             4.48681             5.30799
     C             5.39058             3.85196             6.24255
     C             4.35873             4.89121             6.56304
     C             4.72242             6.16757             5.83654
     C             4.96161             1.74297             3.76155
     C             5.28613            -0.57236             3.22746
     C             7.18989             1.51756             4.80238
     C             1.69631             3.95315             4.00109
     C             2.83815             3.29842             3.70433
     C             6.99415             5.04901             3.12674
     C             3.92117             2.57581             3.77710
     C             7.20396             7.60327             0.72358
     H             7.21785             8.67547             0.64840
     C             7.08957             4.02156             4.17545
     H             8.43233             4.83818             1.48226
     C             7.66697             2.73342             4.26656
     H             8.42061             2.55567             3.48629
     C             7.68548             0.34492             4.18808
     H             8.68966             0.01707             4.42847
           70
 Energy:   -445.6674777139599    
     C             4.00931             4.84358             0.44823
     C             2.55036             4.45538             0.53010
     C             1.74449             5.43812             1.20668
     C             2.74724             6.46521             1.60127
     C             4.07771             6.18018             0.99339
     C             5.72228             1.77320             1.27259
     C             4.58967             2.48088             0.73304
     C             5.01833             3.87531             0.56376
     C             6.44217             3.96665             0.90516
     C             6.83846             2.60152             1.19244
     C             1.33129             1.43402             2.04743
     C             1.01540             2.72225             1.47330
     C             2.22484             3.12428             0.74849
     C             3.22921             2.07976             0.82733
     C             2.64004             0.97002             1.51764
     C             0.22233             4.59407             4.44868
     C             0.69238             5.67510             3.37842
     C             0.64614             5.09730             2.07375
     C             0.24919             3.69398             2.17658
     C            -0.10529             3.30941             3.57957
     C             3.71539             6.83315             5.01846
     C             3.98815             7.30014             3.63191
     C             2.69872             7.01633             2.86936
     C             1.71046             6.51703             3.82909
     C             2.32571             6.33799             5.13488
     C             7.26393             4.98461             1.70739
     C             7.24764             6.46212             1.32334
     C             5.16286             6.91382             1.56794
     C             5.29294             6.97103             2.99353
     C             6.16049             6.05818             3.68517
     C             4.34087             0.46725             5.20115
     C             3.22534             1.08928             5.81976
     C             3.64360             2.31841             6.45646
     C             5.00327             2.62880             6.11068
     C             5.59216             1.53863             5.10780
     C             3.04183            -0.26646             2.06827
     C             2.88533            -0.51963             3.47082
     C             4.15052            -0.48657             4.15580
     C             6.73505            -0.12461             3.09526
     C             5.56791             0.89621             2.45255
     C             0.23758             2.05581             4.15038
     C             0.91662             1.96483             5.45075
     C             1.87331             0.86324             5.36860
     C             1.73627             0.16406             4.09247
     C             0.80660             0.97262             3.29413
     C             1.95025             5.37820             6.13488
     C             3.05332             4.64452             6.75720
     C             2.66333             3.25378             6.81486
     C             1.28398             3.10983             6.22336
     C             0.85707             4.44559             5.85033
     C             6.00628             5.85982             5.07608
     C             6.46072             4.49608             5.38329
     C             5.40146             3.94798             6.21551
     C             4.40282             4.95800             6.48037
     C             4.73862             6.14368             5.70913
     C             4.92668             1.68793             3.64935
     C             5.23649            -0.50704             3.27275
     C             7.08236             1.52155             4.68755
     C             1.80888             3.98476             4.13851
     C             2.91964             3.33880             3.83303
     C             6.92200             4.95330             3.16803
     C             3.94952             2.56976             3.49159
     C             7.28751             7.61637             0.99306
     H             7.58819             8.59360             0.65006
     C             7.12195             3.96927             4.19083
     H             8.31279             4.67347             1.59198
     C             7.68910             2.68775             4.18747
     H             8.65411             2.58019             3.69946
     C             7.53998             0.33761             4.11732
     H             8.45197            -0.15082             4.40814
           70
 Energy:   -445.0541556308550    
     C             3.97797             4.91340             0.39625
     C             2.54239             4.47384             0.48881
     C             1.80138             5.45862             1.23739
     C             2.71879             6.61305             1.55984
     C             4.04114             6.24753             0.99524
     C             5.70294             1.63975             1.18513
     C             4.54550             2.40534             0.66007
     C             4.92316             3.90375             0.50414
     C             6.30226             3.99884             1.05867
     C             6.74274             2.62759             1.17966
     C             1.25523             1.25512             1.97290
     C             1.05858             2.63387             1.49892
     C             2.22772             3.07886             0.74691
     C             3.21693             1.99409             0.85564
     C             2.57677             0.82151             1.45674
     C             0.16190             4.55556             4.47171
     C             0.64116             5.69181             3.39881
     C             0.78207             4.99537             2.14425
     C             0.37577             3.61120             2.23800
     C            -0.00808             3.24754             3.58280
     C             3.70531             6.75514             4.98748
     C             3.96977             7.14923             3.61985
     C             2.68222             7.12681             2.90647
     C             1.62111             6.67314             3.80492
     C             2.29467             6.48093             5.13243
     C             7.33707             4.97047             1.73261
     C             7.38924             6.48668             1.41537
     C             5.15759             6.85309             1.57761
     C             5.23377             6.90552             3.00106
     C             6.25808             6.19982             3.70729
     C             4.40098             0.48321             5.12931
     C             3.29858             0.97337             5.96148
     C             3.62489             2.28638             6.46112
     C             4.97433             2.64947             6.08398
     C             5.46313             1.67488             4.90088
     C             2.98902            -0.35908             2.12373
     C             2.90026            -0.45405             3.52377
     C             4.18225            -0.46767             4.11328
     C             6.70712            -0.24886             3.01459
     C             5.50735             0.80545             2.44032
     C             0.37703             2.03595             4.14260
     C             1.00251             1.98276             5.47206
     C             1.92127             0.79750             5.49056
     C             1.79758             0.13864             4.15878
     C             0.92082             0.94059             3.32982
     C             1.94247             5.47024             6.09680
     C             3.07572             4.70547             6.69844
     C             2.69536             3.32232             6.73132
     C             1.30022             3.20541             6.23133
     C             0.85517             4.51515             5.84036
     C             6.02984             5.94977             5.12730
     C             6.49037             4.59743             5.50616
     C             5.40966             3.95311             6.31202
     C             4.47125             5.01179             6.62305
     C             4.77034             6.14592             5.76294
     C             4.80151             1.72534             3.50830
     C             5.21282            -0.65299             3.15642
     C             6.98794             1.53145             4.62866
     C             1.78334             4.06552             4.11711
     C             2.87175             3.44809             3.79651
     C             6.96741             5.00020             3.23703
     C             3.79710             2.57672             3.38305
     C             7.43971             7.67355             1.20309
     H             7.15812             8.72428             0.98961
     C             7.13844             4.04069             4.32140
     H             8.29688             4.57788             1.57208
     C             7.69061             2.72634             4.28935
     H             8.70251             2.64258             3.92762
     C             7.45244             0.29586             4.08074
     H             8.45131            -0.09873             4.22046
           70
 Energy:   -444.7970186401355    
     C             3.93577             4.78637             0.50723
     C             2.57702             4.33289             0.65276
     C             1.80660             5.41115             1.23665
     C             2.69597             6.57896             1.48641
     C             4.00604             6.24339             0.81546
     C             5.72145             1.65292             1.12044
     C             4.53808             2.39635             0.64938
     C             4.96720             3.84996             0.65754
     C             6.41248             3.90864             1.09061
     C             6.86958             2.54962             1.12488
     C             1.17882             1.32298             1.93792
     C             1.03496             2.67877             1.42595
     C             2.15508             2.98629             0.59896
     C             3.15794             1.90201             0.63988
     C             2.45561             0.73519             1.35211
     C             0.16530             4.66825             4.53800
     C             0.65134             5.80270             3.45114
     C             0.83572             5.05358             2.19789
     C             0.43100             3.67877             2.30088
     C             0.00514             3.37222             3.62869
     C             3.70215             6.94503             5.07584
     C             3.98049             7.12297             3.62690
     C             2.72197             7.04146             2.93183
     C             1.70684             6.66716             3.86272
     C             2.30672             6.54106             5.21959
     C             7.36351             5.01318             1.83428
     C             7.36425             6.44168             1.18222
     C             5.13964             6.73072             1.53154
     C             5.22026             6.79488             2.97863
     C             6.23483             6.19353             3.78587
     C             4.38766             0.41166             5.16128
     C             3.36106             1.01188             5.96377
     C             3.75708             2.26109             6.51609
     C             5.03564             2.65955             6.02709
     C             5.49118             1.55968             4.93079
     C             2.81977            -0.47571             2.05530
     C             2.85503            -0.60881             3.49905
     C             4.17789            -0.55249             4.09815
     C             6.69775            -0.05839             3.08985
     C             5.47211             0.86162             2.34460
     C             0.37425             2.09633             4.22505
     C             1.08155             1.94495             5.48921
     C             2.05526             0.85666             5.41815
     C             1.86045             0.14750             4.12417
     C             0.95297             1.04830             3.33609
     C             1.93884             5.42063             6.12449
     C             3.03426             4.64638             6.80735
     C             2.72045             3.23851             6.78238
     C             1.36561             3.14218             6.21410
     C             0.87913             4.47126             5.88560
     C             6.01502             6.04088             5.24438
     C             6.43638             4.61706             5.52008
     C             5.36744             4.00895             6.28800
     C             4.35229             5.03269             6.56788
     C             4.72228             6.31775             5.90679
     C             4.76412             1.74992             3.49923
     C             5.20784            -0.60625             3.13855
     C             7.01867             1.63695             4.65655
     C             1.74445             4.24013             4.10615
     C             2.71180             3.47644             3.53760
     C             7.09914             5.11707             3.34652
     C             3.70049             2.58330             3.37775
     C             7.44180             7.64825             1.33211
     H             7.75106             8.69597             1.54256
     C             7.23035             4.12978             4.40148
     H             8.29778             4.58052             1.66688
     C             7.73918             2.80305             4.41315
     H             8.72711             2.66600             3.97976
     C             7.52006             0.47431             4.03178
     H             8.44340            -0.04358             4.32689
           70
 Energy:   -445.2945554852195    
     C             3.98432             4.74544             0.53360
     C             2.56156             4.37368             0.49678
     C             1.78761             5.39160             1.26720
     C             2.77803             6.37028             1.68082
     C             4.08213             6.04845             1.08312
     C             5.67947             1.60748             1.24129
     C             4.53200             2.29008             0.68644
     C             5.00574             3.71901             0.69700
     C             6.41135             3.84191             1.09767
     C             6.80508             2.48175             1.10376
     C             1.22701             1.37927             1.96609
     C             1.02269             2.71219             1.47682
     C             2.16781             3.04659             0.67317
     C             3.12882             1.94108             0.67838
     C             2.44802             0.79676             1.32237
     C             0.26528             4.62489             4.53662
     C             0.60687             5.77064             3.47275
     C             0.66287             5.09119             2.12042
     C             0.29047             3.67223             2.26495
     C            -0.00722             3.37343             3.61977
     C             3.70102             6.89478             5.08221
     C             3.98044             7.23279             3.67131
     C             2.74235             6.97248             2.98900
     C             1.72612             6.55121             3.88485
     C             2.31466             6.46174             5.22937
     C             7.30651             4.88299             1.79456
     C             7.20738             6.31693             1.26130
     C             5.22378             6.66653             1.66528
     C             5.28945             6.94056             3.02975
     C             6.28195             6.20416             3.74052
     C             4.43563             0.52252             5.05486
     C             3.27960             0.97016             5.81631
     C             3.63212             2.19770             6.48018
     C             4.91598             2.65673             6.05893
     C             5.58141             1.72699             4.97021
     C             2.80801            -0.44782             1.90283
     C             2.85502            -0.42857             3.36036
     C             4.16457            -0.45078             3.99181
     C             6.75739             0.02378             3.10268
     C             5.52499             0.96568             2.52205
     C             0.38554             2.11370             4.15581
     C             1.03895             2.02196             5.45723
     C             1.92402             0.82989             5.35603
     C             1.77374             0.21284             4.03459
     C             0.82999             1.01488             3.29140
     C             2.01193             5.42231             6.19409
     C             3.12336             4.66270             6.86146
     C             2.73385             3.23726             6.86520
     C             1.36376             3.14864             6.29322
     C             1.00224             4.47880             5.87519
     C             5.98077             6.05270             5.11681
     C             6.48387             4.72301             5.49236
     C             5.41722             4.02274             6.19408
     C             4.44108             5.04413             6.56496
     C             4.71057             6.28300             5.81938
     C             4.80110             1.80336             3.59441
     C             5.25259            -0.53786             3.04179
     C             7.06974             1.77413             4.66237
     C             1.77426             4.15806             4.00859
     C             2.71313             3.39528             3.49364
     C             7.08126             5.08807             3.28443
     C             3.72840             2.54837             3.36502
     C             7.49191             7.49090             1.26372
     H             7.65201             8.55689             1.39560
     C             7.27594             4.24277             4.40327
     H             8.30626             4.54138             1.60395
     C             7.79185             2.95404             4.53078
     H             8.86435             2.85006             4.28862
     C             7.59366             0.62041             4.03203
     H             8.69287             0.46747             3.90983
           70
 Energy:   -445.1291996752957    
     C             3.95018             4.74762             0.48651
     C             2.50896             4.42465             0.52244
     C             1.83002             5.45152             1.28611
     C             2.80706             6.41073             1.73133
     C             4.12397             5.98399             1.21047
     C             5.67957             1.50109             1.18158
     C             4.51223             2.27911             0.75490
     C             4.94365             3.71075             0.54581
     C             6.29304             3.80211             1.02356
     C             6.74961             2.46128             1.09027
     C             1.06857             1.37124             1.85700
     C             0.90081             2.72869             1.38490
     C             2.13330             3.07859             0.66496
     C             3.12582             2.01090             0.79588
     C             2.34755             0.85734             1.34032
     C             0.20812             4.59164             4.46666
     C             0.70235             5.72110             3.43366
     C             0.75952             5.08033             2.10210
     C             0.27448             3.69032             2.18140
     C            -0.14126             3.29577             3.55237
     C             3.80140             6.86125             5.12620
     C             3.99573             7.28298             3.72524
     C             2.74915             7.05051             2.96286
     C             1.70780             6.62292             3.91251
     C             2.36501             6.42046             5.23019
     C             7.21983             4.76104             1.74208
     C             7.22861             6.24961             1.28817
     C             5.15321             6.81066             1.63936
     C             5.30335             7.06811             3.06342
     C             6.29234             6.30661             3.82671
     C             4.38379             0.66674             4.93801
     C             3.32325             1.12859             5.80136
     C             3.72469             2.34691             6.47824
     C             5.08626             2.65076             6.11194
     C             5.64891             1.74328             4.97563
     C             2.93378            -0.24443             1.97401
     C             2.86367            -0.45044             3.35415
     C             4.16220            -0.34026             3.95001
     C             6.76223            -0.04550             3.28015
     C             5.60286             0.87739             2.50200
     C             0.25043             2.03813             4.11571
     C             0.97432             1.95682             5.40361
     C             1.95793             0.88817             5.32959
     C             1.78389             0.20891             4.04698
     C             0.83789             1.00014             3.23700
     C             1.96900             5.37724             6.12304
     C             3.04170             4.65788             6.80692
     C             2.71145             3.24726             6.82677
     C             1.30568             3.09748             6.19883
     C             0.87928             4.46158             5.84053
     C             6.07688             5.98868             5.23724
     C             6.49951             4.61664             5.52766
     C             5.48070             4.00838             6.34650
     C             4.43686             4.99302             6.65268
     C             4.77743             6.16849             5.87660
     C             4.99444             1.89284             3.51296
     C             5.31612            -0.61141             3.08650
     C             7.14746             1.76436             4.73157
     C             1.68581             3.93976             3.98552
     C             2.78763             3.33961             3.61933
     C             6.98077             5.12351             3.26833
     C             3.85812             2.57639             3.38599
     C             7.36976             7.43001             1.03311
     H             7.60315             8.41849             0.68587
     C             7.26300             4.14998             4.37466
     H             8.28203             4.39392             1.63263
     C             7.93053             2.93387             4.59370
     H             9.04133             2.88907             4.51237
     C             7.66330             0.66063             4.02707
     H             8.73173             0.38405             4.08098
           70
 Energy:   -445.0710283108311    
     C             4.00258             4.84335             0.59413
     C             2.54190             4.44426             0.61547
     C             1.84084             5.46356             1.31392
     C             2.77822             6.56616             1.62560
     C             4.13791             6.29391             0.99655
     C             5.64311             1.54744             1.11568
     C             4.43948             2.31737             0.64247
     C             4.89591             3.76872             0.68346
     C             6.37325             3.81299             1.01917
     C             6.82025             2.42525             0.88664
     C             1.04058             1.32091             1.82063
     C             0.84214             2.70669             1.37150
     C             2.03681             3.07851             0.58132
     C             3.03141             1.97816             0.61547
     C             2.37759             0.82288             1.35422
     C             0.19648             4.54763             4.46105
     C             0.73014             5.66268             3.49999
     C             0.78071             5.06096             2.16701
     C             0.21299             3.70277             2.16612
     C            -0.19497             3.31233             3.53775
     C             3.69264             6.90918             5.20897
     C             4.03753             7.25126             3.82319
     C             2.79046             7.07182             2.96065
     C             1.74085             6.58711             3.90589
     C             2.29034             6.46273             5.24779
     C             7.24595             4.87432             1.84600
     C             7.22734             6.27599             1.09252
     C             5.22700             6.79811             1.70531
     C             5.30240             6.91993             3.14320
     C             6.20623             6.10162             3.83271
     C             4.47027             0.56879             5.05467
     C             3.33721             1.14782             5.66079
     C             3.69645             2.28347             6.40716
     C             5.08751             2.65198             6.19215
     C             5.75564             1.71032             4.99621
     C             2.90219            -0.36783             2.00081
     C             2.92936            -0.34720             3.39737
     C             4.24700            -0.44291             4.07215
     C             6.81217            -0.12334             3.27531
     C             5.63347             0.85345             2.46606
     C             0.18129             2.07649             4.12504
     C             0.98383             1.99714             5.36621
     C             1.99656             0.99789             5.20626
     C             1.77687             0.28765             3.99642
     C             0.74374             0.98336             3.19821
     C             1.97832             5.37926             6.10700
     C             3.05719             4.60960             6.71273
     C             2.68082             3.22602             6.69965
     C             1.31296             3.12491             6.14809
     C             0.88205             4.48414             5.80485
     C             5.99862             6.03978             5.26298
     C             6.49227             4.68547             5.62687
     C             5.46686             4.01127             6.42406
     C             4.40320             5.02987             6.65555
     C             4.73408             6.24362             5.95007
     C             5.04336             1.83019             3.56717
     C             5.34758            -0.56606             3.23960
     C             7.25073             1.65462             4.76602
     C             1.66441             3.80628             4.07162
     C             2.84593             3.23536             3.71452
     C             6.94315             4.99431             3.36444
     C             4.03981             2.71371             3.43313
     C             7.23022             7.40093             0.65564
     H             7.18755             8.45259             0.38351
     C             7.19397             4.10254             4.49630
     H             8.36541             4.57161             1.79982
     C             7.93493             2.87144             4.50327
     H             9.00372             2.93768             4.26510
     C             7.71816             0.41217             4.15849
     H             8.75904             0.12923             4.24494
           70
 Energy:   -445.4958557509174    
     C             3.99329             4.85446             0.60981
     C             2.58910             4.45930             0.65441
     C             1.78829             5.48755             1.23491
     C             2.68818             6.56612             1.61627
     C             4.02434             6.21814             1.07538
     C             5.66682             1.59941             1.20299
     C             4.49527             2.38605             0.80079
     C             4.91799             3.81480             0.75882
     C             6.33545             3.86190             1.08159
     C             6.80682             2.49768             0.96888
     C             1.16630             1.36542             1.80786
     C             1.00155             2.72672             1.37776
     C             2.19824             3.10998             0.68987
     C             3.13608             2.00996             0.68448
     C             2.37044             0.81796             1.18608
     C             0.21644             4.58297             4.45215
     C             0.71413             5.67421             3.47063
     C             0.71952             5.07641             2.13110
     C             0.31372             3.70352             2.16635
     C            -0.14669             3.33731             3.50071
     C             3.70249             6.91367             5.10079
     C             3.95334             7.18614             3.70022
     C             2.67533             7.04475             2.99564
     C             1.73071             6.52978             3.93498
     C             2.29363             6.53250             5.25626
     C             7.26323             4.86400             1.77238
     C             7.13582             6.22868             1.04338
     C             5.15882             6.78288             1.65904
     C             5.19432             6.80059             3.06371
     C             6.15265             6.04515             3.83154
     C             4.43358             0.50225             5.08723
     C             3.28650             1.05553             5.79785
     C             3.69085             2.28455             6.39672
     C             5.01504             2.65204             6.10034
     C             5.65932             1.57704             5.12015
     C             2.93522            -0.26992             1.87598
     C             2.89637            -0.39265             3.30487
     C             4.22954            -0.41805             3.93232
     C             6.92443            -0.07261             3.05534
     C             5.72531             0.95000             2.52401
     C             0.23763             2.08010             4.05226
     C             1.03638             2.05890             5.30513
     C             1.99923             0.97770             5.24121
     C             1.82711             0.26520             3.98377
     C             0.84190             0.97688             3.15070
     C             1.92541             5.46758             6.17588
     C             3.00399             4.69542             6.82640
     C             2.68887             3.27908             6.71071
     C             1.33900             3.12766             6.21108
     C             0.87028             4.48616             5.85225
     C             5.99214             5.91912             5.28930
     C             6.53443             4.57108             5.64895
     C             5.41459             3.93783             6.40051
     C             4.35766             5.04007             6.67206
     C             4.72123             6.24994             5.91640
     C             5.10391             1.81114             3.66000
     C             5.34134            -0.51466             3.03389
     C             7.13204             1.53964             4.87274
     C             1.71396             3.79884             4.18851
     C             2.86715             3.28610             3.78465
     C             6.95487             4.97265             3.32312
     C             4.01754             2.59869             3.59653
     C             7.04540             7.22416             0.35902
     H             6.94329             8.08913            -0.34169
     C             7.24344             4.05717             4.51196
     H             8.36921             4.58877             1.65277
     C             7.76123             2.73518             4.48379
     H             8.59521             2.56836             3.81616
     C             7.65651             0.34052             4.18353
     H             8.57133            -0.06341             4.56128
           70
 Energy:   -445.3050338255573    
     C             3.92352             4.81735             0.54816
     C             2.50704             4.48124             0.48907
     C             1.75097             5.54596             1.21898
     C             2.73375             6.55566             1.60011
     C             4.02150             6.15661             1.05324
     C             5.80825             1.69124             1.29819
     C             4.60382             2.42240             0.81569
     C             5.00922             3.85763             0.72104
     C             6.38777             3.92888             1.08113
     C             6.90628             2.60457             1.15143
     C             1.17530             1.35791             1.78662
     C             0.97668             2.73180             1.35459
     C             2.20526             3.13834             0.68389
     C             3.22389             2.04732             0.83412
     C             2.48284             0.87590             1.29187
     C             0.23001             4.61885             4.43698
     C             0.59466             5.76512             3.45177
     C             0.67851             5.11780             2.11487
     C             0.30650             3.71367             2.16820
     C            -0.01633             3.34724             3.52703
     C             3.66969             6.74777             5.11516
     C             3.95790             7.14897             3.75272
     C             2.70899             7.05809             3.02565
     C             1.59661             6.68879             3.90133
     C             2.25312             6.42784             5.22618
     C             7.27096             4.90622             1.78665
     C             7.03454             6.24563             1.10115
     C             5.12401             6.77779             1.65484
     C             5.21690             6.93021             3.04766
     C             6.26098             6.17682             3.71706
     C             4.39691             0.50103             5.03122
     C             3.26996             0.97374             5.76251
     C             3.61590             2.21582             6.51767
     C             5.00734             2.58472             6.25343
     C             5.59854             1.53968             5.15878
     C             2.97457            -0.35652             1.78941
     C             2.94887            -0.43483             3.22649
     C             4.20431            -0.40040             3.87931
     C             6.76401            -0.05062             3.21121
     C             5.69846             1.01130             2.59908
     C             0.46252             2.09569             4.02246
     C             1.02960             1.95218             5.35021
     C             1.92621             0.76650             5.25065
     C             1.89764             0.23304             3.86616
     C             0.94083             1.05045             3.12867
     C             1.93376             5.44102             6.23972
     C             3.02941             4.63745             6.86686
     C             2.63737             3.20905             6.81742
     C             1.31438             3.13234             6.15364
     C             0.84839             4.49902             5.89069
     C             5.98934             5.88267             5.14441
     C             6.42263             4.50902             5.43989
     C             5.43471             3.92136             6.32834
     C             4.40618             4.96840             6.63840
     C             4.72601             6.14139             5.82497
     C             4.96656             1.83850             3.67350
     C             5.31498            -0.49831             3.02503
     C             7.08183             1.51475             4.82516
     C             1.75016             3.95237             4.19350
     C             2.80544             3.28556             3.93583
     C             7.00933             4.99883             3.26769
     C             3.84888             2.54689             3.57278
     C             6.86464             6.97246             0.16074
     H             6.79296             7.67655            -0.68558
     C             7.12832             3.95967             4.31688
     H             8.32351             4.64506             1.68359
     C             7.72026             2.66444             4.37925
     H             8.76486             2.61876             4.11018
     C             7.56496             0.30640             4.25183
     H             8.53682            -0.13593             4.45444
           70
 Energy:   -445.3586733563682    
     C             4.01294             4.94269             0.49627
     C             2.60881             4.50243             0.53671
     C             1.80746             5.47884             1.24540
     C             2.75825             6.56925             1.61501
     C             4.08395             6.32453             1.03921
     C             5.74323             1.72766             1.35494
     C             4.58387             2.48287             0.80065
     C             5.07649             3.92756             0.63379
     C             6.49290             3.95953             1.02364
     C             6.88685             2.59946             1.22653
     C             1.23510             1.40495             1.80277
     C             1.00326             2.78918             1.33682
     C             2.19741             3.16524             0.56836
     C             3.20061             2.10315             0.63695
     C             2.57473             0.92060             1.29284
     C             0.17745             4.63914             4.50356
     C             0.63964             5.76524             3.43824
     C             0.70332             5.18091             2.08133
     C             0.33438             3.78395             2.15754
     C             0.03307             3.41644             3.53280
     C             3.72262             6.78305             5.11410
     C             3.98601             7.19196             3.69970
     C             2.71667             7.10389             2.95853
     C             1.66380             6.61747             3.86734
     C             2.29578             6.37064             5.22958
     C             7.35177             5.07683             1.72001
     C             7.10508             6.39855             0.91011
     C             5.22145             6.92342             1.67054
     C             5.28141             6.95349             3.09664
     C             6.21025             6.16820             3.77295
     C             4.40737             0.44975             5.04766
     C             3.30282             0.89354             5.84030
     C             3.63426             2.09841             6.59481
     C             4.98175             2.47086             6.24141
     C             5.59334             1.59556             5.06571
     C             2.91864            -0.30863             1.96458
     C             2.86103            -0.48459             3.36944
     C             4.15997            -0.50276             3.98816
     C             6.78533            -0.14446             3.32080
     C             5.69146             0.94291             2.57152
     C             0.34253             2.10251             4.07375
     C             1.01495             1.97605             5.37839
     C             1.95084             0.87908             5.26440
     C             1.74123             0.15618             4.01790
     C             0.86725             1.05927             3.18205
     C             1.94429             5.26617             6.14921
     C             3.00886             4.47832             6.73813
     C             2.66874             3.08213             6.79442
     C             1.28602             3.03121             6.24982
     C             0.82822             4.34647             5.89411
     C             5.90404             5.79835             5.14560
     C             6.22835             4.40848             5.35207
     C             5.34266             3.83739             6.27881
     C             4.34914             4.86744             6.61976
     C             4.65262             6.03419             5.83377
     C             4.94732             1.80817             3.63718
     C             5.26529            -0.59042             3.11786
     C             7.10016             1.64083             4.89101
     C             1.76089             4.21268             4.12543
     C             2.75203             3.32377             3.88907
     C             7.02669             5.14554             3.23040
     C             3.81150             2.54446             3.63749
     C             6.68952             7.03232            -0.04359
     H             6.27916             7.40974            -0.96702
     C             7.07744             4.05154             4.19239
     H             8.34458             4.75124             1.65407
     C             7.73958             2.81812             4.33255
     H             8.67027             2.71276             3.76911
     C             7.53140             0.35805             4.36623
     H             8.49029            -0.11568             4.65128
           70
 Energy:   -445.2284017896020    
     C             4.11083             4.95899             0.53387
     C             2.72326             4.55672             0.58789
     C             1.93178             5.53936             1.26958
     C             2.85158             6.67422             1.64665
     C             4.14270             6.36225             1.03793
     C             5.71042             1.70832             1.33604
     C             4.61768             2.43785             0.68002
     C             5.06958             3.88979             0.60131
     C             6.45002             3.99023             1.03772
     C             6.86331             2.62569             1.23349
     C             1.28054             1.50606             1.91226
     C             1.12366             2.82094             1.36811
     C             2.32021             3.18329             0.58283
     C             3.25300             2.07267             0.73639
     C             2.50543             0.96135             1.35165
     C             0.14879             4.58469             4.40993
     C             0.70473             5.70022             3.43078
     C             0.95823             5.10198             2.14550
     C             0.46070             3.74591             2.15661
     C            -0.04129             3.30211             3.50341
     C             3.67768             6.83192             5.19977
     C             3.97754             7.28390             3.80693
     C             2.73780             7.09987             2.99264
     C             1.73610             6.50713             3.88343
     C             2.30721             6.30517             5.21297
     C             7.31261             5.12449             1.58197
     C             7.06801             6.36808             0.67235
     C             5.17816             7.04764             1.68830
     C             5.23779             7.08038             3.10964
     C             6.19336             6.20160             3.72043
     C             4.36307             0.32699             5.18752
     C             3.16927             0.90284             5.90906
     C             3.56748             2.12532             6.53539
     C             4.93329             2.47219             6.22220
     C             5.55679             1.51340             5.12863
     C             2.95828            -0.20280             1.98095
     C             2.91185            -0.41247             3.36027
     C             4.15135            -0.53772             4.08266
     C             6.72247            -0.08278             3.31574
     C             5.50812             0.91172             2.57752
     C             0.25562             2.03166             4.07116
     C             0.88765             1.86965             5.39664
     C             1.84714             0.75370             5.32696
     C             1.77844             0.20371             3.97262
     C             0.87834             1.03667             3.20943
     C             1.98316             5.21388             6.08901
     C             3.00012             4.49368             6.82833
     C             2.59115             3.10107             6.84835
     C             1.19346             3.02414             6.19918
     C             0.86254             4.37426             5.80708
     C             5.84315             5.83015             5.07939
     C             6.33062             4.45292             5.35519
     C             5.36474             3.81933             6.20590
     C             4.34025             4.84365             6.58904
     C             4.66603             6.07954             5.89830
     C             4.80478             1.66794             3.76009
     C             5.26532            -0.59691             3.17208
     C             7.05626             1.61570             4.81050
     C             1.73154             4.09778             3.97650
     C             2.86630             3.49799             3.67394
     C             7.05595             5.17318             3.15145
     C             3.81794             2.54726             3.63450
     C             6.59731             7.16620            -0.12269
     H             6.14336             7.94010            -0.71551
     C             7.20642             4.09525             4.18843
     H             8.30241             4.78910             1.49917
     C             7.69429             2.75374             4.18851
     H             8.60217             2.46061             3.61476
     C             7.59040             0.44251             4.26157
     H             8.56224             0.07565             4.66477
           70
 Energy:   -445.0521229122981    
     C             4.13115             4.95960             0.54949
     C             2.69966             4.54877             0.57808
     C             1.90411             5.51888             1.29573
     C             2.86389             6.59631             1.74388
     C             4.20556             6.31834             1.11937
     C             5.76660             1.70533             1.33224
     C             4.65816             2.46240             0.78584
     C             5.10474             3.85726             0.61596
     C             6.49530             3.87399             1.01937
     C             6.91064             2.55955             1.38852
     C             1.32754             1.33358             1.79974
     C             1.13350             2.70530             1.39987
     C             2.34582             3.20315             0.72724
     C             3.30582             2.11168             0.74652
     C             2.70780             0.91147             1.33180
     C             0.20023             4.54921             4.38898
     C             0.75809             5.70818             3.46561
     C             0.75385             5.10171             2.13657
     C             0.32904             3.66779             2.15015
     C            -0.11147             3.30010             3.51409
     C             3.73365             6.81703             5.14292
     C             4.01187             7.36275             3.82640
     C             2.76566             7.12700             3.02451
     C             1.70809             6.68036             3.96404
     C             2.30609             6.48536             5.28608
     C             7.21449             5.04978             1.57672
     C             6.77068             6.27466             0.71797
     C             5.21223             7.12930             1.69988
     C             5.28225             7.17664             3.12107
     C             6.27958             6.29793             3.74792
     C             4.26664             0.33681             5.21357
     C             3.11564             0.88004             5.94924
     C             3.54668             2.10065             6.55550
     C             4.86478             2.52706             6.16224
     C             5.44712             1.46984             5.17420
     C             3.12143            -0.27796             1.94837
     C             2.87045            -0.46902             3.36462
     C             4.11904            -0.51212             4.11958
     C             6.76367            -0.19031             3.04809
     C             5.56267             0.87111             2.51490
     C             0.26577             2.05157             4.01541
     C             0.82812             1.85953             5.39408
     C             1.80767             0.74526             5.37378
     C             1.76725             0.23014             3.94964
     C             0.90236             1.04423             3.14736
     C             1.88439             5.35758             6.14509
     C             2.98366             4.58198             6.78414
     C             2.57930             3.15717             6.80983
     C             1.20662             3.03733             6.16834
     C             0.89243             4.39971             5.76840
     C             5.96158             5.90853             5.13531
     C             6.35078             4.49169             5.33490
     C             5.37832             3.84863             6.21338
     C             4.35118             4.92936             6.56367
     C             4.74826             6.11513             5.81746
     C             4.86846             1.65945             3.71396
     C             5.24393            -0.58628             3.28589
     C             6.93541             1.57505             4.62408
     C             1.72669             4.00219             3.92588
     C             2.86509             3.46221             3.58252
     C             6.96756             5.19742             3.11232
     C             3.90045             2.61051             3.46619
     C             6.64453             7.27287             0.04836
     H             6.51866             8.12680            -0.62524
     C             7.06320             4.12316             4.12153
     H             8.26603             4.81640             1.44203
     C             7.57763             2.76767             4.13931
     H             8.57689             2.70355             3.65354
     C             7.54379             0.38685             4.07712
     H             8.60862             0.17421             4.26587
           70
 Energy:   -445.1406017006335    
     C             4.08687             4.87816             0.69960
     C             2.73026             4.42983             0.67052
     C             1.93776             5.43960             1.31266
     C             2.75060             6.54590             1.68114
     C             4.12138             6.24924             1.21720
     C             5.79797             1.64775             1.29063
     C             4.66771             2.41428             0.80844
     C             5.13606             3.86309             0.70478
     C             6.54269             3.89227             1.09922
     C             6.95591             2.49470             1.25955
     C             1.25823             1.39111             1.87427
     C             1.07126             2.74812             1.31665
     C             2.30573             3.09308             0.66534
     C             3.29484             2.01262             0.78969
     C             2.56598             0.88726             1.35892
     C             0.26167             4.57234             4.43497
     C             0.71643             5.73080             3.42111
     C             0.81071             5.11115             2.13561
     C             0.41699             3.76797             2.13334
     C            -0.06455             3.33898             3.44508
     C             3.69658             7.00514             5.24016
     C             3.96701             7.31506             3.82814
     C             2.71149             7.10946             3.02388
     C             1.70748             6.61096             3.91802
     C             2.30426             6.49803             5.24102
     C             7.24165             5.09819             1.75402
     C             6.82815             6.34724             0.93477
     C             5.12353             7.04445             1.74521
     C             5.25261             7.13928             3.16206
     C             6.24943             6.28967             3.82201
     C             4.28243             0.41908             5.20176
     C             3.18725             0.99165             5.88521
     C             3.56267             2.18767             6.52787
     C             4.90552             2.51884             6.14949
     C             5.45111             1.49632             4.99193
     C             3.00076            -0.31843             1.97101
     C             2.91426            -0.52653             3.42184
     C             4.16483            -0.56412             4.14056
     C             6.73712            -0.26052             3.03146
     C             5.55329             0.77479             2.46772
     C             0.32499             2.06816             3.98230
     C             1.04730             2.02770             5.27449
     C             1.92129             0.87905             5.31785
     C             1.76520             0.09504             4.03034
     C             0.89511             0.95996             3.16487
     C             1.93311             5.40105             6.10795
     C             2.99420             4.60447             6.70458
     C             2.61933             3.20471             6.73770
     C             1.27357             3.14364             6.14984
     C             0.83737             4.51063             5.86358
     C             5.96812             5.95098             5.24386
     C             6.25262             4.49455             5.29634
     C             5.27199             3.86598             6.11867
     C             4.34834             4.94760             6.53138
     C             4.70782             6.23039             5.90738
     C             4.91304             1.75802             3.50391
     C             5.24634            -0.72052             3.28883
     C             6.97197             1.53498             4.53544
     C             1.73983             4.07167             3.88337
     C             2.76256             3.28747             3.58045
     C             6.86224             5.16732             3.20496
     C             3.92150             2.63888             3.36012
     C             6.66253             7.32995             0.22886
     H             6.70961             8.29988            -0.34230
     C             6.84237             4.06119             4.09145
     H             8.34710             4.92508             1.68587
     C             7.48911             2.79819             4.01289
     H             8.33776             2.64497             3.32663
     C             7.54496             0.35874             3.97591
     H             8.53992            -0.02212             4.07668
           70
 Energy:   -444.9371279376622    
     C             4.13585             4.80084             0.74715
     C             2.73734             4.44264             0.66426
     C             1.90653             5.51146             1.27251
     C             2.85598             6.54548             1.68084
     C             4.19253             6.25510             1.11788
     C             5.80283             1.51579             1.13740
     C             4.67176             2.31367             0.71313
     C             5.05453             3.76853             0.86981
     C             6.45457             3.85185             1.13717
     C             6.92952             2.45508             1.11902
     C             1.21044             1.31826             1.83934
     C             1.06214             2.70175             1.38598
     C             2.26965             3.07333             0.69200
     C             3.27704             1.95928             0.77704
     C             2.53409             0.81901             1.38958
     C             0.19306             4.59991             4.40180
     C             0.69234             5.74332             3.37113
     C             0.84586             5.05594             2.07163
     C             0.36791             3.66790             2.17739
     C            -0.05060             3.35060             3.49525
     C             3.66063             6.91344             5.22154
     C             3.91215             7.36535             3.85046
     C             2.71477             7.12058             3.05580
     C             1.67952             6.58320             3.90896
     C             2.23724             6.49365             5.30709
     C             7.24134             5.03879             1.74284
     C             7.16015             6.40427             1.03265
     C             5.21252             6.94421             1.78887
     C             5.18646             7.13330             3.16796
     C             6.12191             6.30512             3.83658
     C             4.40158             0.37383             5.11175
     C             3.29007             0.93538             5.82256
     C             3.64444             2.24022             6.37386
     C             4.96034             2.65205             5.97767
     C             5.58651             1.58336             4.97082
     C             2.86649            -0.40256             2.05945
     C             2.83102            -0.50584             3.48066
     C             4.12249            -0.55883             4.03698
     C             6.73504            -0.19317             3.16939
     C             5.59956             0.79572             2.42060
     C             0.34438             2.10196             4.08044
     C             1.01525             1.99753             5.38609
     C             1.93077             0.89662             5.26211
     C             1.72313             0.25831             3.99515
     C             0.80007             1.02969             3.16056
     C             1.87052             5.41783             6.18114
     C             2.95293             4.65548             6.86605
     C             2.66801             3.19509             6.74777
     C             1.32965             3.14391             6.15022
     C             0.87215             4.47938             5.76677
     C             5.88798             5.94278             5.22107
     C             6.32154             4.57527             5.38118
     C             5.31108             3.98451             6.24244
     C             4.33035             5.02450             6.67165
     C             4.64738             6.22613             5.93330
     C             4.90307             1.66108             3.48214
     C             5.19128            -0.63417             3.05150
     C             7.01576             1.60108             4.54986
     C             1.76141             4.10403             3.97471
     C             2.81568             3.36714             3.49907
     C             6.86445             5.21016             3.22095
     C             3.83909             2.46068             3.32401
     C             6.76397             7.39112             0.48759
     H             6.16491             8.10367            -0.09381
     C             7.00189             4.12023             4.16286
     H             8.34671             4.76053             1.68270
     C             7.40661             2.78142             3.89623
     H             8.14775             2.72171             3.10718
     C             7.59148             0.43753             4.07359
     H             8.57783             0.03799             4.21551
           70
 Energy:   -445.1060883984534    
     C             4.11464             4.81194             0.61992
     C             2.66999             4.42802             0.66405
     C             1.82859             5.48345             1.31768
     C             2.80494             6.50795             1.66968
     C             4.14653             6.14993             1.20329
     C             5.77681             1.58654             1.18407
     C             4.58800             2.31750             0.79326
     C             5.03935             3.78308             0.64794
     C             6.42635             3.87366             1.10835
     C             6.91600             2.49379             1.07509
     C             1.19473             1.35056             1.90116
     C             1.06521             2.74714             1.43424
     C             2.31215             3.09432             0.73807
     C             3.20218             1.94566             0.79238
     C             2.39859             0.78546             1.26962
     C             0.28619             4.58321             4.47680
     C             0.71707             5.74352             3.45742
     C             0.75284             5.13317             2.14141
     C             0.35136             3.70733             2.15581
     C            -0.07767             3.32154             3.48064
     C             3.66164             6.90265             5.11177
     C             3.97581             7.29182             3.72892
     C             2.71285             7.10949             2.97354
     C             1.66799             6.69013             3.88249
     C             2.22169             6.46906             5.25934
     C             7.34398             4.90239             1.79506
     C             7.17342             6.25499             1.02838
     C             5.17838             6.99372             1.71476
     C             5.27502             7.10251             3.09012
     C             6.24786             6.36871             3.84798
     C             4.33070             0.51252             4.98690
     C             3.22515             1.06192             5.77344
     C             3.64837             2.27771             6.40479
     C             4.97093             2.64500             6.06608
     C             5.57044             1.72374             4.91609
     C             2.83325            -0.43531             1.84402
     C             2.87451            -0.49605             3.28363
     C             4.13878            -0.42449             3.91315
     C             6.78002            -0.18613             3.24825
     C             5.61700             0.80692             2.42143
     C             0.25316             2.01302             4.10202
     C             0.93445             1.93285             5.43718
     C             1.87340             0.79864             5.34224
     C             1.80844             0.14049             4.04280
     C             0.88203             0.98777             3.26070
     C             1.94221             5.39027             6.18676
     C             3.03847             4.63503             6.87914
     C             2.63399             3.21388             6.78330
     C             1.32174             3.07714             6.17542
     C             0.90847             4.43249             5.83112
     C             5.92566             6.00084             5.24804
     C             6.38930             4.63613             5.53799
     C             5.43815             3.94349             6.35123
     C             4.39998             4.96808             6.68507
     C             4.63186             6.22552             5.92657
     C             4.79078             1.66793             3.45995
     C             5.28544            -0.62555             3.10160
     C             7.02139             1.74530             4.58464
     C             1.74852             4.01779             4.03681
     C             2.81089             3.37981             3.60641
     C             7.00076             5.19386             3.31078
     C             3.70146             2.45645             3.36367
     C             6.91283             7.38931             0.64984
     H             6.77397             8.45457             0.50081
     C             7.10376             4.21408             4.36510
     H             8.41681             4.56401             1.76861
     C             7.54727             2.94583             4.03976
     H             8.14931             2.84336             3.14574
     C             7.52214             0.50865             4.16410
     H             8.52878             0.20086             4.44337
           70
 Energy:   -445.5587293682149    
     C             4.01144             4.84165             0.56571
     C             2.59171             4.42159             0.58447
     C             1.86180             5.42128             1.33994
     C             2.75028             6.56212             1.66796
     C             4.08618             6.23893             1.02611
     C             5.77217             1.62284             1.15016
     C             4.58983             2.37407             0.63462
     C             5.03351             3.84088             0.69429
     C             6.43875             3.86041             1.09555
     C             6.93111             2.49030             1.18137
     C             1.15008             1.35641             1.78589
     C             0.98973             2.72421             1.44087
     C             2.19935             3.08131             0.70498
     C             3.16702             2.02218             0.67426
     C             2.48469             0.85699             1.30170
     C             0.13734             4.61471             4.52319
     C             0.66744             5.68787             3.47521
     C             0.76943             5.05001             2.21370
     C             0.35871             3.66772             2.29003
     C            -0.07471             3.33557             3.61689
     C             3.73239             6.87939             5.14244
     C             4.03948             7.26761             3.76629
     C             2.70875             7.05257             3.02834
     C             1.70807             6.54590             3.94144
     C             2.34760             6.38352             5.24234
     C             7.25699             4.90062             1.81507
     C             7.09375             6.25661             1.07388
     C             5.20390             6.82101             1.69969
     C             5.26934             6.98122             3.11126
     C             6.26982             6.29046             3.79146
     C             4.34178             0.55312             4.94824
     C             3.24266             0.99631             5.79606
     C             3.66886             2.18934             6.56091
     C             4.96020             2.64780             6.08819
     C             5.53298             1.71041             4.94349
     C             2.88051            -0.37031             1.92733
     C             2.84445            -0.48156             3.33911
     C             4.15972            -0.46291             3.98017
     C             6.83181            -0.05197             3.19734
     C             5.62303             0.93259             2.46683
     C             0.31999             2.06910             4.10604
     C             1.04668             1.92310             5.39482
     C             1.93981             0.81302             5.25439
     C             1.74478             0.15138             3.95855
     C             0.77492             1.00251             3.17972
     C             1.96958             5.32233             6.05621
     C             3.04428             4.61152             6.70261
     C             2.62213             3.21047             6.80336
     C             1.24866             3.05378             6.23917
     C             0.85352             4.44471             5.84851
     C             6.07866             6.06510             5.25019
     C             6.51371             4.64467             5.55207
     C             5.39431             3.98202             6.23856
     C             4.39408             5.00881             6.55503
     C             4.77841             6.23812             5.88050
     C             4.90064             1.84405             3.47745
     C             5.31313            -0.56984             3.17571
     C             7.03759             1.74077             4.73213
     C             1.71427             4.09716             4.07209
     C             2.67886             3.23441             3.69608
     C             7.04489             5.20339             3.28914
     C             3.78486             2.51663             3.26349
     C             7.22195             7.42160             0.75452
     H             7.26070             8.43047             0.38402
     C             7.24612             4.21911             4.32813
     H             8.31726             4.65000             1.77068
     C             7.74636             2.88527             4.37300
     H             8.78672             2.71286             4.09353
     C             7.55330             0.55351             4.17005
     H             8.58082             0.30655             4.48275
           70
 Energy:   -445.6169276615564    
     C             3.95051             4.85106             0.54640
     C             2.57870             4.43620             0.58522
     C             1.84757             5.48991             1.26305
     C             2.79646             6.53151             1.65724
     C             4.08591             6.20188             1.03655
     C             5.66835             1.64475             1.17006
     C             4.52943             2.37187             0.73969
     C             4.90992             3.81649             0.67691
     C             6.29097             3.98660             1.11837
     C             6.76259             2.57139             1.09905
     C             1.21559             1.39309             1.88362
     C             0.97767             2.69720             1.35833
     C             2.17008             3.05974             0.58275
     C             3.16067             2.02396             0.71722
     C             2.47934             0.86453             1.31588
     C             0.07242             4.54424             4.54437
     C             0.73273             5.64728             3.49103
     C             0.79606             5.06748             2.18551
     C             0.31733             3.69344             2.20257
     C            -0.13543             3.25738             3.51951
     C             3.74010             6.88644             5.13608
     C             4.03994             7.20462             3.71966
     C             2.75399             7.03216             2.97960
     C             1.74059             6.53757             3.90850
     C             2.35355             6.43881             5.26207
     C             7.26992             4.98585             1.79175
     C             7.20781             6.45842             1.16880
     C             5.21042             6.72877             1.65329
     C             5.26266             6.90556             3.09128
     C             6.26835             6.17927             3.78012
     C             4.45807             0.48153             5.10305
     C             3.29394             0.96824             5.81245
     C             3.67636             2.23638             6.40722
     C             5.01320             2.62730             6.07943
     C             5.61194             1.69670             4.97688
     C             3.01953            -0.30099             1.95715
     C             2.92133            -0.41381             3.39868
     C             4.21674            -0.40751             4.00960
     C             6.69863             0.03517             3.19497
     C             5.52709             0.99956             2.50466
     C             0.25094             2.01363             4.06154
     C             0.96058             1.96620             5.37937
     C             1.94309             0.89289             5.31929
     C             1.84644             0.20888             4.03731
     C             0.87055             0.96942             3.21516
     C             2.00638             5.35997             6.21770
     C             3.07867             4.52701             6.76048
     C             2.70882             3.14657             6.76678
     C             1.33806             3.07023             6.22500
     C             0.91080             4.41420             5.92573
     C             6.04703             6.03801             5.23207
     C             6.45665             4.60736             5.52798
     C             5.38075             3.95752             6.21563
     C             4.40032             4.95085             6.50036
     C             4.74622             6.20258             5.86546
     C             4.88305             1.83824             3.57771
     C             5.24681            -0.50874             3.02012
     C             7.15984             1.65806             4.81480
     C             1.62593             3.95484             4.11964
     C             2.64805             3.30222             3.58929
     C             7.04720             5.01748             3.29331
     C             3.78763             2.64563             3.51967
     C             7.38641             7.54767             0.67303
     H             7.73805             8.54015             0.32763
     C             7.26365             4.06873             4.42887
     H             8.26247             4.66946             1.58554
     C             7.94976             2.80601             4.74589
     H             9.06364             2.79572             4.68205
     C             7.60213             0.50882             4.14941
     H             8.63920             0.17125             4.28884
           70
 Energy:   -445.2927172639345    
     C             3.87731             4.87869             0.41545
     C             2.46578             4.49150             0.45575
     C             1.71895             5.49768             1.25641
     C             2.72122             6.47560             1.65999
     C             4.01766             6.14131             1.07589
     C             5.64559             1.79738             1.32001
     C             4.47732             2.46298             0.72991
     C             4.90585             3.90998             0.55262
     C             6.35768             4.04665             0.97752
     C             6.77468             2.64478             1.09398
     C             1.15478             1.34467             1.88429
     C             0.95128             2.67839             1.40415
     C             2.09182             3.14025             0.59846
     C             3.11848             2.08365             0.63393
     C             2.46285             0.90252             1.32911
     C             0.16253             4.58539             4.42717
     C             0.74133             5.64724             3.46861
     C             0.71582             5.05195             2.14440
     C             0.18949             3.63320             2.19570
     C            -0.16099             3.28391             3.57155
     C             3.74258             6.80777             5.14687
     C             4.00788             7.13986             3.69869
     C             2.72546             6.97732             2.95795
     C             1.72417             6.53492             3.88847
     C             2.31721             6.47600             5.22752
     C             7.28240             5.01221             1.73061
     C             7.33562             6.44198             1.21968
     C             5.18837             6.76755             1.60464
     C             5.28744             6.86053             3.05770
     C             6.25822             6.06763             3.82759
     C             4.47408             0.44563             5.06826
     C             3.36944             0.99779             5.77869
     C             3.68984             2.28136             6.44729
     C             5.08261             2.61462             6.17570
     C             5.62194             1.56203             5.10245
     C             2.95954            -0.29735             1.94144
     C             2.95469            -0.46124             3.36867
     C             4.24337            -0.49339             4.00451
     C             6.82304            -0.04135             3.06105
     C             5.59466             1.01625             2.55442
     C             0.28852             2.07742             4.13198
     C             1.02242             1.92991             5.43967
     C             2.03875             0.85369             5.29622
     C             1.85988             0.23674             4.02923
     C             0.89095             1.03128             3.21806
     C             1.86248             5.41216             6.16839
     C             2.99481             4.66522             6.83676
     C             2.68628             3.25392             6.74310
     C             1.32758             3.14299             6.17584
     C             0.83639             4.43259             5.82541
     C             5.93288             5.82887             5.16513
     C             6.51206             4.54841             5.58946
     C             5.51366             3.92376             6.40902
     C             4.42613             4.97095             6.73322
     C             4.73942             6.12293             5.86110
     C             4.99764             1.86078             3.68638
     C             5.34322            -0.56606             3.08881
     C             7.14367             1.53864             4.82773
     C             1.67421             3.91715             3.99707
     C             2.83709             3.41081             3.72030
     C             7.10418             4.96428             3.31074
     C             3.90180             2.60476             3.62501
     C             7.51317             7.51664             0.70905
     H             7.48639             8.45359             0.09706
     C             7.32489             4.08504             4.50596
     H             8.28278             4.66263             1.63321
     C             7.81902             2.76457             4.77780
     H             8.91501             2.77990             4.99098
     C             7.69392             0.48110             4.05739
     H             8.75243             0.25475             4.07785
           70
 Energy:   -445.0050797375584    
     C             3.87735             4.89095             0.30105
     C             2.45393             4.45331             0.39798
     C             1.70482             5.46872             1.23184
     C             2.65200             6.53155             1.57125
     C             3.92131             6.26717             0.86694
     C             5.66041             1.76352             1.24374
     C             4.47939             2.48205             0.69702
     C             4.96487             3.97176             0.50666
     C             6.41212             4.00824             1.00648
     C             6.77990             2.62822             1.12745
     C             1.13984             1.37090             1.85665
     C             0.87012             2.70276             1.35089
     C             2.05933             3.11483             0.57763
     C             3.11808             2.11623             0.75385
     C             2.43554             0.90486             1.31876
     C             0.23215             4.59483             4.49104
     C             0.59974             5.69881             3.44395
     C             0.65241             5.11368             2.10917
     C             0.24960             3.64940             2.18862
     C             0.00514             3.31786             3.57578
     C             3.65813             6.74933             5.15468
     C             3.92807             7.10183             3.78015
     C             2.70810             6.95931             2.97604
     C             1.62384             6.56021             3.90324
     C             2.28307             6.39559             5.23924
     C             7.39429             4.91478             1.80785
     C             7.45158             6.32048             1.18333
     C             5.07804             6.68747             1.62797
     C             5.19507             6.77254             3.04318
     C             6.15740             6.02444             3.80459
     C             4.40712             0.50126             5.12696
     C             3.30060             1.04189             5.84129
     C             3.67611             2.20840             6.58081
     C             5.05573             2.57169             6.35010
     C             5.67844             1.51257             5.18551
     C             2.95640            -0.28217             1.88330
     C             2.99223            -0.39835             3.30921
     C             4.25166            -0.39602             3.99061
     C             6.90648            -0.02521             3.04364
     C             5.68155             1.02340             2.44906
     C             0.32250             2.05118             4.06795
     C             1.04414             2.00287             5.33626
     C             1.97981             0.82914             5.27801
     C             1.82789             0.17855             3.99175
     C             0.86334             0.98433             3.16788
     C             2.00660             5.31795             6.14666
     C             3.05010             4.59187             6.84056
     C             2.69359             3.21446             6.77688
     C             1.35738             3.13341             6.18009
     C             0.98221             4.45414             5.83592
     C             5.95083             5.90513             5.20641
     C             6.42699             4.49772             5.60625
     C             5.44765             3.94042             6.52696
     C             4.36978             5.01937             6.70014
     C             4.70829             6.18000             5.86859
     C             5.02665             1.79636             3.72019
     C             5.35121            -0.48008             3.15260
     C             7.26019             1.54505             4.80987
     C             1.77091             4.13652             3.99372
     C             2.90801             3.40850             3.89580
     C             7.02756             4.94573             3.34205
     C             4.03157             2.71982             3.64249
     C             7.46835             7.43658             0.73269
     H             7.75574             8.44961             0.45022
     C             7.20150             3.96650             4.43732
     H             8.39009             4.47950             1.73226
     C             7.95706             2.76987             4.60270
     H             8.99673             2.73709             4.25689
     C             7.72817             0.43710             4.04046
     H             8.75028             0.10523             4.09792
           70
 Energy:   -444.8155077508620    
     C             3.90047             4.90521             0.48074
     C             2.51576             4.48950             0.49869
     C             1.72126             5.53993             1.16422
     C             2.63171             6.57372             1.55359
     C             3.94743             6.25780             0.99377
     C             5.67938             1.69020             1.22884
     C             4.51892             2.48127             0.77245
     C             4.88860             3.96269             0.67439
     C             6.28463             3.96189             1.04019
     C             6.77316             2.60326             0.91782
     C             1.16833             1.37831             1.77213
     C             0.96236             2.74504             1.30685
     C             2.17481             3.12575             0.60562
     C             3.15339             2.08259             0.65263
     C             2.49406             0.89313             1.25949
     C             0.20798             4.51320             4.46899
     C             0.62916             5.68008             3.42141
     C             0.71138             5.15287             2.11024
     C             0.35479             3.70199             2.15012
     C             0.00970             3.30931             3.50104
     C             3.72931             6.80859             5.04473
     C             3.90452             7.08163             3.63010
     C             2.63874             7.06481             2.91462
     C             1.62782             6.58727             3.87136
     C             2.30695             6.43926             5.23805
     C             7.27779             4.82697             1.83865
     C             7.44316             6.24021             1.24724
     C             5.13102             6.71184             1.58358
     C             5.16092             6.69744             2.99020
     C             6.09199             6.05780             3.74790
     C             4.46658             0.56064             5.10049
     C             3.31859             0.99381             5.87730
     C             3.69963             2.11371             6.62842
     C             5.04300             2.45045             6.25654
     C             5.75527             1.64655             5.09117
     C             3.04167            -0.21425             1.96304
     C             2.93366            -0.36199             3.38660
     C             4.20692            -0.30649             4.04661
     C             6.81155             0.04887             3.13889
     C             5.64677             1.05767             2.57121
     C             0.36437             2.06844             4.07022
     C             1.02837             1.92536             5.38371
     C             2.01436             0.83914             5.28283
     C             1.82459             0.23308             3.97744
     C             0.82156             0.99497             3.14967
     C             1.90858             5.32933             6.19929
     C             3.00699             4.52117             6.90913
     C             2.69028             3.09467             6.92362
     C             1.37084             3.00108             6.25087
     C             0.87889             4.32469             5.90636
     C             5.93371             5.90955             5.19428
     C             6.38494             4.49652             5.51762
     C             5.39369             3.81315             6.31404
     C             4.36281             4.89836             6.69475
     C             4.69436             6.14361             5.86119
     C             5.04693             1.90316             3.74616
     C             5.30262            -0.43747             3.11117
     C             7.22497             1.60257             4.80893
     C             1.82771             4.21188             4.13341
     C             2.95629             3.57423             3.82541
     C             6.89450             4.98281             3.30138
     C             3.97496             2.69513             3.75184
     C             7.53735             7.37012             0.80560
     H             7.27534             8.32529             0.40317
     C             7.19738             4.03285             4.35873
     H             8.25701             4.27580             1.73533
     C             7.77510             2.80102             4.34819
     H             8.70662             2.66427             3.83308
     C             7.67894             0.45499             4.14511
     H             8.66726            -0.02244             4.24464
           70
 Energy:   -444.9362523671485    
     C             3.94162             4.84601             0.63615
     C             2.50223             4.51231             0.54734
     C             1.74809             5.56814             1.26127
     C             2.66641             6.64241             1.59258
     C             4.05515             6.27348             1.00122
     C             5.66204             1.69493             1.19526
     C             4.49324             2.39742             0.78096
     C             4.87759             3.80967             0.75678
     C             6.35739             3.91513             0.94878
     C             6.82917             2.51691             0.94194
     C             1.25795             1.37650             1.83802
     C             1.01419             2.70114             1.38382
     C             2.12760             3.13178             0.55366
     C             3.10675             2.04544             0.63244
     C             2.50531             0.89812             1.26872
     C             0.23111             4.59464             4.47463
     C             0.65554             5.68879             3.42130
     C             0.71935             5.08617             2.17203
     C             0.31056             3.67212             2.23509
     C            -0.01064             3.29606             3.58984
     C             3.61187             6.69410             5.09864
     C             3.94702             7.19643             3.77992
     C             2.67244             7.07025             2.99258
     C             1.62677             6.56135             3.87883
     C             2.23686             6.26198             5.20393
     C             7.34544             4.83747             1.77004
     C             7.36908             6.25644             1.16527
     C             5.17205             6.88770             1.65821
     C             5.25432             7.01370             3.08773
     C             6.20873             6.13429             3.72004
     C             4.42302             0.36439             5.06407
     C             3.30270             0.95526             5.82954
     C             3.61319             2.22380             6.53002
     C             4.99991             2.62107             6.26757
     C             5.56519             1.66824             5.16671
     C             3.01813            -0.27241             1.88039
     C             2.97714            -0.43811             3.28745
     C             4.26970            -0.48812             3.91912
     C             6.84338            -0.03439             3.21195
     C             5.65739             1.04977             2.56009
     C             0.39681             2.05851             4.09431
     C             0.97627             1.91417             5.39755
     C             1.99098             0.82457             5.30540
     C             1.94181             0.20171             3.97391
     C             1.00478             1.03935             3.24010
     C             1.92791             5.29203             6.16455
     C             3.00740             4.54905             6.78313
     C             2.62106             3.16501             6.86558
     C             1.25088             3.04540             6.25402
     C             0.82218             4.39529             5.89798
     C             5.87217             5.84549             5.06794
     C             6.41954             4.51030             5.47708
     C             5.42014             3.94425             6.37436
     C             4.37133             4.89625             6.57005
     C             4.61763             6.02830             5.75425
     C             5.00814             1.98001             3.67748
     C             5.35950            -0.43026             3.03958
     C             7.08241             1.66656             4.75782
     C             1.79128             4.19166             4.14250
     C             2.95283             3.65192             3.85848
     C             6.92346             4.99971             3.23980
     C             3.97062             2.82134             3.55196
     C             7.47423             7.40429             0.79355
     H             7.87621             8.34657             0.42768
     C             7.10359             4.05063             4.30781
     H             8.36105             4.33641             1.64792
     C             7.70333             2.76127             4.25339
     H             8.55933             2.66457             3.60931
     C             7.59215             0.40251             4.26454
     H             8.59642            -0.00194             4.54186
           70
 Energy:   -445.0822261286069    
     C             4.06675             4.90944             0.57663
     C             2.65040             4.44604             0.64593
     C             1.82879             5.44345             1.37354
     C             2.71946             6.49029             1.74482
     C             4.07380             6.20634             1.15957
     C             5.70114             1.62482             1.20139
     C             4.56669             2.44490             0.69438
     C             5.06063             3.89368             0.60379
     C             6.41764             3.88918             1.03415
     C             6.86247             2.48081             1.04473
     C             1.21509             1.36395             1.86407
     C             0.99695             2.74180             1.37286
     C             2.17421             3.13840             0.66453
     C             3.17016             2.04374             0.69469
     C             2.47829             0.85940             1.25563
     C             0.12124             4.55001             4.52748
     C             0.60506             5.72926             3.46024
     C             0.69109             5.10672             2.17742
     C             0.31126             3.68950             2.22176
     C             0.01172             3.26145             3.55912
     C             3.69208             6.87337             5.10125
     C             3.94200             7.34395             3.74116
     C             2.64452             7.11877             2.99508
     C             1.65086             6.56856             3.87719
     C             2.29486             6.43795             5.24473
     C             7.29247             4.97514             1.66816
     C             7.26227             6.33567             0.94683
     C             5.06947             7.08976             1.66475
     C             5.19473             7.08126             3.08168
     C             6.15517             6.17814             3.74644
     C             4.36596             0.46126             5.05644
     C             3.30275             0.86812             5.86208
     C             3.64535             2.14331             6.52038
     C             5.00149             2.54097             6.14416
     C             5.55227             1.61180             4.98928
     C             2.93121            -0.37645             1.88494
     C             2.97188            -0.43326             3.31940
     C             4.26751            -0.45649             3.95687
     C             6.85944            -0.05366             3.16146
     C             5.62859             0.96769             2.53840
     C             0.35929             2.04916             4.14161
     C             1.01243             1.87397             5.40285
     C             1.97156             0.72766             5.30783
     C             1.85672             0.17341             3.97077
     C             0.92951             1.03328             3.24829
     C             1.92759             5.35761             6.08948
     C             2.97311             4.59469             6.78623
     C             2.64829             3.17968             6.68335
     C             1.27642             3.02380             6.21677
     C             0.82628             4.40512             5.89484
     C             5.95980             5.90266             5.19307
     C             6.35188             4.45245             5.40943
     C             5.36196             3.89816             6.30940
     C             4.36820             4.91712             6.66493
     C             4.68837             6.18070             5.92980
     C             5.00235             1.91863             3.53649
     C             5.39344            -0.58091             3.08347
     C             7.03037             1.56748             4.89883
     C             1.72834             4.14243             4.10324
     C             2.88638             3.59384             3.75195
     C             6.99044             5.14332             3.21014
     C             4.08844             2.94904             3.47495
     C             7.52981             7.47513             0.66761
     H             7.47402             8.58074             0.54138
     C             7.09830             4.06017             4.24328
     H             8.32430             4.58998             1.52012
     C             7.60516             2.74107             4.33524
     H             8.47947             2.50309             3.73000
     C             7.49757             0.34454             4.31384
     H             8.37502            -0.14991             4.72707
           70
 Energy:   -445.0506868407269    
     C             4.04263             4.88010             0.58733
     C             2.66837             4.41239             0.66818
     C             1.88169             5.42738             1.37519
     C             2.76925             6.56508             1.75334
     C             4.11053             6.28996             1.05597
     C             5.85247             1.65381             1.19215
     C             4.64367             2.33309             0.65302
     C             5.04729             3.87578             0.59537
     C             6.44948             3.98699             0.94721
     C             6.91444             2.61093             1.14961
     C             1.18727             1.28769             1.80228
     C             1.05922             2.72850             1.41977
     C             2.27803             3.05967             0.75631
     C             3.26995             1.95747             0.75811
     C             2.50984             0.86288             1.30779
     C             0.18102             4.52971             4.50722
     C             0.73552             5.69508             3.47890
     C             0.86167             5.04544             2.21611
     C             0.36895             3.65354             2.21527
     C            -0.09071             3.26400             3.52570
     C             3.62841             6.98901             5.27289
     C             3.93379             7.28887             3.86439
     C             2.69816             7.07093             3.11736
     C             1.64558             6.63036             4.01844
     C             2.24152             6.47924             5.43379
     C             7.29063             5.03066             1.70512
     C             7.27244             6.39536             0.98162
     C             5.18972             6.92476             1.73108
     C             5.18129             7.08152             3.14479
     C             6.20355             6.29486             3.73813
     C             4.35343             0.39626             5.15004
     C             3.24012             0.93792             5.81647
     C             3.61490             2.13041             6.47341
     C             4.90821             2.60051             6.04928
     C             5.54596             1.57834             5.00044
     C             2.93706            -0.32181             1.92064
     C             2.84408            -0.54062             3.37248
     C             4.12994            -0.47125             4.02538
     C             6.69572            -0.07064             3.16858
     C             5.61749             1.01187             2.48266
     C             0.28965             2.02959             4.05311
     C             0.96171             1.91657             5.36058
     C             1.91808             0.75265             5.29992
     C             1.71927             0.14056             4.01140
     C             0.78741             0.92008             3.15438
     C             1.94878             5.29635             6.21544
     C             3.05312             4.56861             6.77692
     C             2.64092             3.14618             6.81657
     C             1.38157             3.02544             6.14286
     C             0.98133             4.37333             5.78498
     C             5.89889             5.99017             5.12288
     C             6.31285             4.57530             5.34833
     C             5.30828             3.94817             6.13257
     C             4.37882             4.95962             6.54778
     C             4.68274             6.25753             5.91390
     C             4.99130             1.87994             3.53278
     C             5.19696            -0.51469             3.04700
     C             7.05473             1.57918             4.77493
     C             1.68959             4.01875             3.95463
     C             2.89148             3.58060             3.57723
     C             6.84859             5.11645             3.19292
     C             3.95790             2.76792             3.44113
     C             7.33164             7.50895             0.50336
     H             7.76034             8.45070             0.07734
     C             7.06550             4.06475             4.22193
     H             8.30556             4.68210             1.69378
     C             7.67571             2.80101             4.29303
     H             8.75561             2.76121             4.03567
     C             7.46915             0.36264             4.24187
     H             8.32005            -0.12677             4.66452
           70
 Energy:   -445.6261870682037    
     C             4.07262             4.87553             0.60727
     C             2.65579             4.48155             0.62961
     C             1.88091             5.48269             1.35747
     C             2.80422             6.53524             1.71629
     C             4.13926             6.22068             1.15592
     C             5.81125             1.77096             1.24932
     C             4.62910             2.44982             0.76409
     C             5.06001             3.89498             0.58509
     C             6.44825             4.01489             0.99407
     C             6.95198             2.63135             1.10245
     C             1.31715             1.34085             1.87145
     C             1.14906             2.73022             1.45495
     C             2.31366             3.10954             0.72707
     C             3.29529             1.99505             0.78964
     C             2.57690             0.77384             1.36321
     C             0.22498             4.50386             4.46686
     C             0.70204             5.67411             3.49533
     C             0.82183             5.09608             2.22088
     C             0.42403             3.67666             2.22610
     C            -0.09252             3.27450             3.51392
     C             3.74923             6.90090             5.19251
     C             3.99215             7.29676             3.79467
     C             2.75117             7.02046             3.05556
     C             1.73085             6.55570             3.96088
     C             2.34551             6.44908             5.30790
     C             7.29586             5.10520             1.72284
     C             7.17165             6.50675             1.08771
     C             5.17219             6.97034             1.72012
     C             5.25111             7.05644             3.12126
     C             6.20640             6.29952             3.82235
     C             4.29593             0.46590             5.02541
     C             3.24056             0.96576             5.77973
     C             3.60206             2.19087             6.44349
     C             4.95544             2.59281             6.09137
     C             5.47701             1.61015             5.01762
     C             2.85910            -0.49573             1.91319
     C             2.81028            -0.56668             3.38692
     C             4.13370            -0.45240             3.99498
     C             6.69579            -0.16936             3.20706
     C             5.60921             0.95913             2.44600
     C             0.19577             2.00107             4.01385
     C             0.96512             1.97701             5.29747
     C             1.93076             0.81280             5.25163
     C             1.69449             0.11061             4.02211
     C             0.78011             0.90377             3.15717
     C             1.87666             5.38088             6.19530
     C             2.95125             4.64376             6.88929
     C             2.59574             3.15165             6.83378
     C             1.28919             3.09170             6.16248
     C             0.85452             4.45099             5.82868
     C             5.98632             5.95847             5.22617
     C             6.34928             4.55589             5.40045
     C             5.34869             3.90021             6.20805
     C             4.34915             4.89292             6.63382
     C             4.69411             6.13834             5.91478
     C             4.90888             1.81168             3.52767
     C             5.19052            -0.55864             3.04440
     C             6.99173             1.62743             4.61394
     C             1.71384             3.98828             3.91895
     C             2.80286             3.36719             3.47742
     C             6.96174             5.21284             3.24020
     C             3.88546             2.62464             3.27657
     C             7.22280             7.43996             0.32248
     H             6.85791             8.19115            -0.36339
     C             7.03665             4.09846             4.20149
     H             8.29944             4.77798             1.62431
     C             7.64759             2.86837             4.28575
     H             8.66802             2.81296             3.84883
     C             7.57312             0.49511             4.07247
     H             8.64615             0.31740             4.03732
           70
 Energy:   -445.2710175505856    
     C             4.10199             4.90925             0.53556
     C             2.69418             4.46187             0.58831
     C             1.89039             5.47336             1.25155
     C             2.78183             6.52537             1.67741
     C             4.13461             6.26865             1.12396
     C             5.82108             1.68323             1.18094
     C             4.68576             2.46897             0.75834
     C             5.09456             3.91365             0.76589
     C             6.46117             4.00298             1.14053
     C             6.95286             2.59824             1.21872
     C             1.26207             1.39179             1.88463
     C             1.07631             2.69429             1.41143
     C             2.29614             3.12948             0.72074
     C             3.29620             2.03486             0.79664
     C             2.51180             0.86147             1.40476
     C             0.22331             4.61448             4.44903
     C             0.68527             5.70072             3.38186
     C             0.75342             5.08405             2.10071
     C             0.29430             3.68448             2.17175
     C            -0.12638             3.30580             3.54792
     C             3.67691             6.76237             5.16162
     C             4.01042             7.24421             3.81406
     C             2.73082             7.10881             3.00570
     C             1.70776             6.55519             3.86030
     C             2.27758             6.33485             5.21700
     C             7.33081             5.12753             1.77686
     C             7.11448             6.46436             0.96897
     C             5.22148             6.95279             1.75585
     C             5.36730             7.08981             3.16633
     C             6.27109             6.26331             3.91971
     C             4.27275             0.51692             4.98711
     C             3.18788             1.00593             5.75970
     C             3.59209             2.18190             6.45668
     C             4.93844             2.55782             6.16652
     C             5.49482             1.64913             4.91923
     C             2.83973            -0.41027             1.88708
     C             2.82309            -0.53184             3.32105
     C             4.15144            -0.48195             3.96791
     C             6.81625            -0.10528             3.04940
     C             5.56295             0.84871             2.36854
     C             0.32068             2.08742             4.07713
     C             0.89528             1.93297             5.41960
     C             1.88653             0.78580             5.29307
     C             1.76415             0.14779             4.00913
     C             0.89883             1.05382             3.24493
     C             1.92423             5.32187             6.17488
     C             3.01071             4.58440             6.76467
     C             2.62974             3.14829             6.72186
     C             1.20113             3.09147             6.27064
     C             0.79235             4.46771             5.91437
     C             5.96031             5.91627             5.26746
     C             6.35243             4.48951             5.52187
     C             5.34190             3.90047             6.40294
     C             4.37369             4.95725             6.71333
     C             4.69093             6.18194             5.97058
     C             4.85645             1.71965             3.47601
     C             5.28204            -0.63655             3.09101
     C             7.13039             1.66921             4.63623
     C             1.74498             4.01916             3.94108
     C             2.66431             3.22030             3.44890
     C             7.03765             5.19244             3.31891
     C             3.78347             2.48342             3.29005
     C             6.88724             7.40588             0.21764
     H             7.14484             8.21919            -0.42367
     C             7.15979             4.17870             4.36413
     H             8.37215             4.85777             1.69776
     C             7.68902             2.86106             4.16810
     H             8.46923             2.73583             3.40318
     C             7.64864             0.50954             3.98358
     H             8.66742             0.14341             4.21043
           70
 Energy:   -445.1407782331273    
     C             4.08996             4.85106             0.67292
     C             2.67202             4.50983             0.62735
     C             1.90176             5.55545             1.24163
     C             2.82551             6.60910             1.61791
     C             4.16720             6.28377             1.07139
     C             5.80415             1.66187             1.19208
     C             4.66290             2.40607             0.72400
     C             5.09015             3.86367             0.78351
     C             6.42097             3.92330             1.28363
     C             6.90055             2.57144             1.32904
     C             1.19142             1.41000             1.79763
     C             1.02733             2.77463             1.30211
     C             2.21301             3.19342             0.64936
     C             3.21847             2.11751             0.74445
     C             2.49618             0.92758             1.30429
     C             0.13965             4.60503             4.38048
     C             0.72327             5.73170             3.44016
     C             0.80885             5.15639             2.11945
     C             0.29915             3.74922             2.11238
     C            -0.07963             3.31377             3.48652
     C             3.62117             6.81932             5.19176
     C             3.92266             7.18577             3.81796
     C             2.73338             7.06157             2.97784
     C             1.68720             6.60921             3.86627
     C             2.24074             6.41570             5.26598
     C             7.30456             5.07653             1.88431
     C             6.96269             6.26315             0.96482
     C             5.20020             6.84639             1.80833
     C             5.19388             6.90207             3.20045
     C             6.23605             6.31403             3.92455
     C             4.42306             0.45506             5.09912
     C             3.28100             0.96960             5.83736
     C             3.65691             2.20052             6.43728
     C             4.98184             2.57006             6.04109
     C             5.62833             1.58905             4.90080
     C             2.99600            -0.22431             1.96577
     C             2.89777            -0.38868             3.36171
     C             4.19509            -0.43185             3.99499
     C             6.79080            -0.15411             3.03846
     C             5.65394             0.87603             2.39755
     C             0.27765             2.07687             4.09424
     C             0.90668             1.87590             5.43611
     C             1.93163             0.75855             5.35297
     C             1.80848             0.23052             4.02075
     C             0.85575             1.09615             3.19869
     C             1.90648             5.28693             6.08019
     C             2.95028             4.54197             6.83764
     C             2.60028             3.12181             6.83619
     C             1.26765             3.03995             6.18929
     C             0.89640             4.33215             5.76506
     C             5.91648             5.97193             5.29122
     C             6.48553             4.59517             5.55241
     C             5.44377             3.90483             6.31009
     C             4.34637             4.85938             6.61626
     C             4.63646             6.10473             5.90173
     C             4.81442             1.62567             3.52563
     C             5.29089            -0.54513             3.08883
     C             7.08354             1.66117             4.51797
     C             1.70361             4.08057             3.96359
     C             2.69753             3.21094             3.56442
     C             7.10747             5.28048             3.37007
     C             3.64382             2.25447             3.36546
     C             6.77309             7.25310             0.29994
     H             6.21735             8.01346            -0.23832
     C             7.24149             4.20252             4.34450
     H             8.39606             4.84500             1.77600
     C             7.67657             2.81204             4.13231
     H             8.69456             2.73813             3.79086
     C             7.52434             0.43323             4.03922
     H             8.52726             0.01966             4.24931
           70
 Energy:   -445.2645183964592    
     C             3.99553             4.92984             0.66011
     C             2.60438             4.52673             0.57185
     C             1.80525             5.53795             1.27970
     C             2.73553             6.64816             1.74489
     C             4.06225             6.27710             1.24307
     C             5.71106             1.67436             1.25957
     C             4.58415             2.44426             0.78617
     C             4.98786             3.91377             0.81472
     C             6.35518             3.90151             1.25350
     C             6.85395             2.56799             1.25027
     C             1.28386             1.44234             1.78549
     C             1.06235             2.81541             1.28956
     C             2.21505             3.17741             0.56497
     C             3.19426             2.08009             0.61427
     C             2.53862             0.94691             1.25749
     C             0.21473             4.53570             4.42458
     C             0.64500             5.70132             3.45577
     C             0.74054             5.13677             2.11536
     C             0.40199             3.69485             2.12957
     C            -0.05296             3.28039             3.45313
     C             3.71363             6.82421             5.18543
     C             3.95312             7.26201             3.81234
     C             2.66373             7.10490             3.07104
     C             1.58789             6.62167             3.94085
     C             2.30614             6.42264             5.30194
     C             7.31313             4.95414             1.83282
     C             7.11367             6.26736             1.05529
     C             5.16756             6.86888             1.81593
     C             5.24232             7.06652             3.18713
     C             6.25482             6.29539             3.87361
     C             4.39658             0.38179             5.13066
     C             3.28075             0.92414             5.86430
     C             3.65560             2.16149             6.49901
     C             4.94946             2.59238             6.03841
     C             5.57917             1.56202             4.96974
     C             3.10321            -0.14086             1.91814
     C             2.98572            -0.31739             3.30574
     C             4.16878            -0.55199             4.04153
     C             6.76998            -0.17908             3.15761
     C             5.53972             0.74695             2.41042
     C             0.29955             2.02824             3.97006
     C             1.02522             1.98412             5.24055
     C             2.00108             0.89726             5.19163
     C             1.86561             0.24946             3.93054
     C             0.84069             1.00790             3.07812
     C             1.92087             5.35034             6.17415
     C             3.00161             4.53760             6.75113
     C             2.65282             3.14522             6.72731
     C             1.34709             3.04517             6.13840
     C             0.93535             4.36185             5.83804
     C             6.02638             6.01227             5.35537
     C             6.42766             4.59696             5.51918
     C             5.35674             3.90350             6.13969
     C             4.35295             4.89519             6.52396
     C             4.72398             6.17329             5.91459
     C             4.72235             1.54108             3.57833
     C             5.31591            -0.69605             3.23455
     C             7.07650             1.66090             4.64356
     C             1.74429             4.04157             3.93218
     C             2.67979             3.16410             3.75269
     C             7.02142             5.16587             3.34117
     C             3.61381             2.30675             3.53200
     C             6.59737             7.07912             0.32433
     H             6.29169             8.00539            -0.24675
     C             7.21115             4.15088             4.38370
     H             8.37847             4.54936             1.75834
     C             7.71180             2.85209             4.34978
     H             8.52994             2.72676             3.67338
     C             7.55137             0.49538             4.04632
     H             8.56828             0.13871             4.22916
           70
 Energy:   -444.8110180662955    
     C             3.99514             4.92504             0.62060
     C             2.54787             4.54297             0.50452
     C             1.77491             5.54077             1.29584
     C             2.75585             6.59313             1.78132
     C             4.05562             6.28221             1.19389
     C             5.60254             1.60661             1.26494
     C             4.54619             2.48313             0.73416
     C             4.99863             3.88462             0.76065
     C             6.39293             3.87425             1.12969
     C             6.78323             2.49017             1.24404
     C             1.27542             1.33785             1.67672
     C             0.98120             2.80026             1.29690
     C             2.15209             3.20165             0.56309
     C             3.19014             2.15047             0.56510
     C             2.64739             0.91119             1.17470
     C             0.12718             4.62835             4.44239
     C             0.70362             5.70209             3.49879
     C             0.72548             5.15086             2.18984
     C             0.28981             3.72223             2.15345
     C            -0.11075             3.34552             3.51297
     C             3.68756             6.94654             5.28938
     C             3.98946             7.37749             3.88494
     C             2.70070             7.15530             3.09989
     C             1.70372             6.56585             3.97860
     C             2.30521             6.43725             5.33211
     C             7.27906             4.97465             1.81767
     C             7.05637             6.30424             1.06391
     C             5.11651             7.02501             1.77000
     C             5.22888             7.07704             3.16899
     C             6.27015             6.29726             3.86025
     C             4.35262             0.28669             5.13902
     C             3.23630             0.88656             5.75478
     C             3.58510             2.19137             6.40128
     C             5.01757             2.54303             6.10511
     C             5.57731             1.46520             5.09951
     C             3.18148            -0.24566             1.82693
     C             2.98765            -0.55190             3.25299
     C             4.19817            -0.67472             4.03185
     C             6.88146            -0.09873             3.18276
     C             5.53033             0.75334             2.48642
     C             0.40873             2.11019             3.92684
     C             1.03724             1.96865             5.24505
     C             1.96183             0.80988             5.13339
     C             1.89988             0.16592             3.84109
     C             0.98620             1.01977             3.04429
     C             1.94033             5.34161             6.15491
     C             3.04840             4.59890             6.74544
     C             2.66212             3.19472             6.67399
     C             1.32120             3.10860             6.10905
     C             0.83107             4.47623             5.87678
     C             6.01306             5.97592             5.29304
     C             6.41464             4.58006             5.50754
     C             5.41178             3.86437             6.27796
     C             4.39634             4.99082             6.64134
     C             4.72286             6.25259             5.90625
     C             4.79982             1.57048             3.66807
     C             5.35104            -0.71576             3.20675
     C             7.07517             1.58660             4.72083
     C             1.68563             4.02059             4.10943
     C             2.71255             3.19069             3.76798
     C             6.97786             5.17797             3.31606
     C             3.71992             2.30147             3.57575
     C             6.79715             7.14323             0.22746
     H             6.30088             7.59664            -0.67231
     C             7.10833             4.07795             4.28771
     H             8.33041             4.60264             1.70709
     C             7.68167             2.83026             4.47278
     H             8.77177             2.83287             4.40356
     C             7.68333             0.49702             4.11571
     H             8.75311             0.47479             4.01604
           70
 Energy:   -445.3579933867780    
     C             4.06019             4.93547             0.58072
     C             2.65322             4.51657             0.65834
     C             1.88765             5.57048             1.30181
     C             2.83420             6.58649             1.67825
     C             4.14964             6.31746             1.11129
     C             5.69448             1.70105             1.31571
     C             4.55817             2.42609             0.73377
     C             5.01872             3.84297             0.61732
     C             6.36037             3.93988             1.09973
     C             6.83251             2.58501             1.23972
     C             1.18287             1.41615             1.78075
     C             1.01913             2.79247             1.27531
     C             2.20398             3.20545             0.56993
     C             3.17723             2.08972             0.63495
     C             2.43307             0.92870             1.18840
     C             0.18299             4.56323             4.42482
     C             0.73594             5.69104             3.48473
     C             0.80345             5.15308             2.17737
     C             0.31225             3.74594             2.08654
     C            -0.07321             3.30433             3.43330
     C             3.70403             6.91332             5.26645
     C             3.99183             7.31218             3.82816
     C             2.76896             7.04937             3.05655
     C             1.73887             6.62984             3.96896
     C             2.28078             6.55535             5.39235
     C             7.20208             5.01528             1.77333
     C             6.97188             6.29825             0.92607
     C             5.20191             6.97660             1.75206
     C             5.25059             7.12858             3.14459
     C             6.13957             6.19034             3.80814
     C             4.43460             0.32755             5.10856
     C             3.27649             0.88924             5.74590
     C             3.64401             2.17949             6.38389
     C             5.06239             2.54608             6.10960
     C             5.59433             1.53806             5.07779
     C             2.97151            -0.22339             1.79277
     C             2.97447            -0.42064             3.25149
     C             4.21738            -0.53044             3.97397
     C             6.82753            -0.07146             3.07941
     C             5.60649             0.90804             2.56117
     C             0.34840             2.06788             3.98145
     C             1.01199             1.89851             5.29668
     C             1.97746             0.72765             5.22776
     C             1.84145             0.16448             3.90716
     C             0.94787             1.00488             3.15098
     C             1.90379             5.38281             6.24886
     C             2.96578             4.52516             6.82843
     C             2.61298             3.14308             6.67374
     C             1.31876             3.03348             6.13771
     C             0.82309             4.42297             5.89819
     C             5.84144             5.92205             5.19123
     C             6.31708             4.56313             5.52053
     C             5.36476             3.85781             6.35944
     C             4.31690             4.93147             6.72039
     C             4.64496             6.19633             5.99986
     C             4.93478             1.65456             3.67532
     C             5.35376            -0.65262             3.05798
     C             7.11742             1.54493             4.78643
     C             1.68873             3.85546             4.17928
     C             2.78208             3.23281             3.76462
     C             6.87787             5.09436             3.27836
     C             3.81753             2.43861             3.60488
     C             6.92418             7.20126             0.12666
     H             7.13065             8.10832            -0.39890
     C             7.10004             4.11036             4.36687
     H             8.23384             4.74312             1.66154
     C             7.73155             2.81717             4.53777
     H             8.79970             2.74955             4.22574
     C             7.66380             0.44231             4.09004
     H             8.60980             0.00460             4.37490
           70
 Energy:   -445.3203558606725    
     C             4.08032             4.92401             0.54061
     C             2.66897             4.53355             0.55737
     C             1.94288             5.50298             1.33229
     C             2.83909             6.56011             1.71613
     C             4.17575             6.30880             1.14377
     C             5.79181             1.71235             1.20319
     C             4.61314             2.41476             0.69309
     C             5.02732             3.85349             0.64628
     C             6.43973             3.94658             1.04191
     C             6.90611             2.60199             1.19072
     C             1.17368             1.41945             1.74721
     C             1.08386             2.78185             1.34591
     C             2.27714             3.17191             0.66459
     C             3.22739             2.03745             0.71694
     C             2.45690             0.91029             1.26422
     C             0.25324             4.54924             4.47572
     C             0.68821             5.68091             3.43539
     C             0.85163             5.09200             2.15402
     C             0.39891             3.71649             2.21988
     C            -0.05939             3.31469             3.54156
     C             3.60795             6.81465             5.23188
     C             3.92550             7.23883             3.83866
     C             2.68531             7.09398             3.06978
     C             1.66944             6.56536             3.90567
     C             2.23137             6.33352             5.25267
     C             7.18326             5.05782             1.70730
     C             7.01174             6.35374             0.90214
     C             5.22480             6.96827             1.75334
     C             5.22149             6.91907             3.18366
     C             6.19154             6.14094             3.83216
     C             4.41225             0.49913             4.95810
     C             3.30177             0.92913             5.76040
     C             3.63076             2.12006             6.55832
     C             4.96821             2.54205             6.19381
     C             5.61606             1.59633             5.05261
     C             2.88347            -0.29666             1.88087
     C             2.87065            -0.36403             3.29526
     C             4.21227            -0.36021             3.87828
     C             6.79372            -0.08240             3.13364
     C             5.70882             0.99949             2.46072
     C             0.21407             2.04234             4.04388
     C             0.92356             1.93798             5.36532
     C             1.97068             0.87344             5.24016
     C             1.75988             0.31701             3.92117
     C             0.76648             1.03805             3.11884
     C             1.88590             5.30051             6.18679
     C             2.93679             4.56081             6.84630
     C             2.58912             3.15930             6.79285
     C             1.30937             3.01527             6.21137
     C             0.84909             4.34509             5.88170
     C             5.89538             5.88203             5.24655
     C             6.31152             4.43147             5.52323
     C             5.28372             3.88848             6.33886
     C             4.30251             4.93209             6.64739
     C             4.63405             6.09147             5.91503
     C             5.07907             1.83244             3.55863
     C             5.31542            -0.49787             2.95938
     C             7.18599             1.59694             4.80370
     C             1.77763             3.93787             4.07732
     C             2.82267             3.21333             3.84152
     C             6.94820             5.04424             3.27940
     C             3.99126             2.57653             3.51047
     C             7.10294             7.34947             0.20300
     H             7.06419             8.11743            -0.52489
     C             7.09144             4.05876             4.33654
     H             8.21672             4.86131             1.65525
     C             7.83643             2.77374             4.36190
     H             8.84812             2.75963             3.87854
     C             7.63967             0.39413             4.15913
     H             8.65781             0.03206             4.38081
           70
 Energy:   -445.4544727063974    
     C             4.02334             4.87619             0.56872
     C             2.62109             4.45928             0.59141
     C             1.82374             5.43687             1.27911
     C             2.71270             6.57346             1.66233
     C             4.05121             6.22825             1.12457
     C             5.87706             1.67693             1.14558
     C             4.66812             2.43564             0.72737
     C             5.05228             3.91671             0.62713
     C             6.50870             4.02026             0.99540
     C             6.97443             2.63055             0.88907
     C             1.26681             1.38974             1.81810
     C             1.02553             2.75174             1.38775
     C             2.25916             3.11534             0.70555
     C             3.27179             2.02960             0.75374
     C             2.52314             0.86663             1.26950
     C             0.12078             4.54948             4.46161
     C             0.68857             5.71777             3.47341
     C             0.76648             5.11420             2.14818
     C             0.33750             3.70367             2.19351
     C            -0.10288             3.30303             3.52728
     C             3.70161             6.69015             5.15140
     C             3.93050             7.19666             3.81263
     C             2.67389             7.07326             3.02111
     C             1.62931             6.58831             3.95449
     C             2.28754             6.32032             5.27192
     C             7.35749             5.06384             1.76927
     C             7.23034             6.47152             1.10265
     C             5.14249             6.85769             1.78034
     C             5.27590             7.02210             3.16444
     C             6.18921             6.20571             3.85630
     C             4.28908             0.66109             4.93543
     C             3.23744             1.10721             5.67049
     C             3.58419             2.17127             6.54077
     C             4.99293             2.49266             6.26584
     C             5.60759             1.60219             5.08758
     C             2.88906            -0.39124             1.80482
     C             2.83219            -0.47832             3.25875
     C             4.15888            -0.28367             3.90013
     C             6.76024            -0.15035             3.23668
     C             5.75790             1.05122             2.50633
     C             0.27648             2.04890             4.02231
     C             0.88675             1.95595             5.36948
     C             1.88722             0.86075             5.23025
     C             1.75651             0.19614             3.92903
     C             0.83528             1.03524             3.14521
     C             1.96392             5.25238             6.14909
     C             2.99925             4.49374             6.87993
     C             2.51820             3.08654             6.94339
     C             1.18954             3.02737             6.25884
     C             0.81043             4.38174             5.85849
     C             5.93188             5.84434             5.25936
     C             6.40477             4.41960             5.43096
     C             5.45822             3.84077             6.32641
     C             4.41556             4.83797             6.66377
     C             4.70978             6.02015             5.88806
     C             5.07789             1.98163             3.55918
     C             5.25629            -0.42607             3.09374
     C             7.11738             1.59742             4.75054
     C             1.67322             4.03617             4.07664
     C             2.83409             3.44233             3.72462
     C             7.00490             5.16751             3.28287
     C             3.96877             2.76253             3.42812
     C             7.12999             7.40477             0.34929
     H             7.19556             8.29876            -0.27671
     C             7.13514             4.08860             4.23427
     H             8.39226             4.78064             1.74338
     C             7.73661             2.76739             4.24164
     H             8.72257             2.64577             3.78798
     C             7.60403             0.36390             4.20544
     H             8.66730             0.07760             4.36176
           70
 Energy:   -445.2363097020112    
     C             4.00120             4.89710             0.68800
     C             2.58706             4.50306             0.66964
     C             1.73096             5.51403             1.30643
     C             2.74591             6.56301             1.73770
     C             4.05348             6.23764             1.09524
     C             5.84024             1.78986             1.22317
     C             4.62996             2.49411             0.78293
     C             5.02436             3.94907             0.71065
     C             6.46141             4.03466             0.94250
     C             6.95407             2.68135             0.97271
     C             1.22497             1.30630             1.80851
     C             1.05252             2.71287             1.37724
     C             2.26142             3.13789             0.65624
     C             3.25454             2.02332             0.74048
     C             2.52603             0.82642             1.31892
     C             0.15680             4.52930             4.51409
     C             0.59322             5.68605             3.48461
     C             0.64568             5.10637             2.13969
     C             0.29701             3.65686             2.13245
     C            -0.08445             3.30788             3.50664
     C             3.73334             6.79113             5.18697
     C             3.98243             7.16493             3.79604
     C             2.72882             7.01663             3.05848
     C             1.66376             6.46357             3.93848
     C             2.28983             6.34700             5.30046
     C             7.40351             4.97312             1.71252
     C             7.40687             6.44618             1.17154
     C             5.18689             6.85751             1.67283
     C             5.28471             6.91311             3.05636
     C             6.29296             6.21807             3.80742
     C             4.27472             0.56760             4.98299
     C             3.17177             0.97426             5.78912
     C             3.61780             2.13861             6.45036
     C             4.98269             2.52767             6.20240
     C             5.56954             1.68457             4.98414
     C             2.87416            -0.37516             1.90623
     C             2.87421            -0.50914             3.33910
     C             4.15870            -0.37580             3.93473
     C             6.82459            -0.01170             3.14398
     C             5.67811             1.09287             2.49953
     C             0.29389             2.03924             4.02366
     C             0.92954             1.92674             5.34740
     C             1.84384             0.73075             5.29168
     C             1.73367             0.08361             3.98075
     C             0.82509             0.97528             3.16666
     C             1.91755             5.33868             6.24023
     C             3.00864             4.53986             6.83651
     C             2.66128             3.10170             6.75900
     C             1.30728             2.99583             6.21957
     C             0.87643             4.37768             5.88330
     C             5.92817             5.86913             5.20509
     C             6.42454             4.48928             5.47549
     C             5.44189             3.83506             6.38243
     C             4.38584             4.89460             6.65171
     C             4.68963             6.09616             5.90015
     C             4.90754             1.92194             3.59452
     C             5.27392            -0.43450             2.97747
     C             7.01361             1.65293             4.78300
     C             1.69480             4.03463             3.99908
     C             2.88702             3.66923             3.54078
     C             7.06049             5.10517             3.26623
     C             3.97774             2.90856             3.51996
     C             7.22366             7.51998             0.64622
     H             6.84089             8.42438             0.07577
     C             7.18443             4.05923             4.30486
     H             8.43634             4.55972             1.61221
     C             7.63728             2.78361             4.19160
     H             8.33003             2.51844             3.42072
     C             7.52272             0.42829             4.26940
     H             8.33757            -0.14728             4.73641
           70
 Energy:   -445.2977284395955    
     C             3.97656             4.93390             0.52446
     C             2.61368             4.48239             0.63447
     C             1.81427             5.47088             1.31205
     C             2.70785             6.59289             1.63904
     C             4.08533             6.30760             1.05061
     C             5.65999             1.76836             1.22426
     C             4.52283             2.50783             0.73364
     C             4.99566             3.92522             0.67951
     C             6.40688             4.01569             1.12382
     C             6.80998             2.61216             1.18926
     C             1.19309             1.33778             1.85607
     C             0.97180             2.72117             1.39687
     C             2.17193             3.14400             0.72193
     C             3.15630             2.07874             0.83062
     C             2.50988             0.89154             1.34166
     C             0.16333             4.54563             4.44693
     C             0.63973             5.71547             3.47611
     C             0.80024             5.05833             2.20981
     C             0.31140             3.69202             2.22512
     C             0.00366             3.23506             3.55414
     C             3.71479             6.83155             5.18929
     C             3.95921             7.13728             3.80713
     C             2.71437             6.98429             3.05042
     C             1.70090             6.55133             3.94712
     C             2.28927             6.41055             5.30429
     C             7.38796             5.01982             1.83255
     C             7.37057             6.40594             1.10745
     C             5.14008             6.91960             1.71692
     C             5.20943             6.92921             3.13942
     C             6.20425             6.10908             3.77194
     C             4.44598             0.30029             5.08611
     C             3.32587             0.86304             5.84582
     C             3.65030             2.10524             6.50918
     C             4.89973             2.62278             6.10070
     C             5.52960             1.62721             5.05913
     C             2.90523            -0.33597             1.88411
     C             2.93863            -0.50031             3.28725
     C             4.18690            -0.53767             3.93093
     C             6.76588             0.02139             3.10403
     C             5.54382             1.05251             2.49340
     C             0.28098             1.94575             4.10405
     C             1.04559             1.84071             5.36367
     C             2.06451             0.73125             5.25712
     C             1.83903             0.09503             3.95564
     C             0.84657             0.92367             3.20092
     C             1.91257             5.30749             6.08829
     C             2.98641             4.60590             6.78458
     C             2.66626             3.11204             6.73187
     C             1.35560             3.03924             6.08062
     C             0.90165             4.39750             5.77207
     C             5.99189             5.93083             5.19113
     C             6.40110             4.52622             5.46825
     C             5.31241             3.91838             6.20217
     C             4.36276             4.99349             6.63788
     C             4.73226             6.19475             5.92919
     C             4.96062             1.98150             3.60631
     C             5.27620            -0.49092             2.94627
     C             6.97821             1.59242             4.79496
     C             1.75184             4.12113             3.94443
     C             2.93638             3.67978             3.60301
     C             7.04643             5.06644             3.30744
     C             4.01358             2.85718             3.33067
     C             7.29148             7.59685             0.89796
     H             7.30786             8.70323             0.83563
     C             7.16170             4.03232             4.31911
     H             8.46921             4.63764             1.74041
     C             7.61853             2.72429             4.24018
     H             8.52910             2.61610             3.67569
     C             7.44483             0.35693             4.25859
     H             8.30695            -0.23701             4.50546
           70
 Energy:   -445.1880241600374    
     C             3.95632             4.95444             0.44404
     C             2.55495             4.51045             0.51447
     C             1.83173             5.48706             1.30954
     C             2.71946             6.56488             1.67868
     C             4.04383             6.33709             1.02733
     C             5.68370             1.70079             1.25078
     C             4.55179             2.49955             0.74781
     C             4.96740             3.92622             0.64181
     C             6.35169             3.96474             1.09358
     C             6.79583             2.58481             1.24232
     C             1.20710             1.34145             1.83942
     C             0.99160             2.72420             1.43132
     C             2.14924             3.14525             0.65616
     C             3.16598             2.09253             0.70060
     C             2.51250             0.89478             1.27148
     C             0.24952             4.52047             4.48887
     C             0.67968             5.72024             3.43930
     C             0.74588             5.08154             2.16237
     C             0.36308             3.69101             2.28759
     C            -0.05630             3.24900             3.59731
     C             3.65806             6.91307             5.13242
     C             3.96516             7.31568             3.72448
     C             2.68584             7.18280             3.01429
     C             1.64272             6.73051             3.89792
     C             2.23934             6.45504             5.29208
     C             7.19569             5.00536             1.77963
     C             7.17043             6.41115             1.29636
     C             5.15544             6.91384             1.62792
     C             5.22695             7.02207             3.08978
     C             6.25718             6.26795             3.85328
     C             4.41902             0.32726             5.10857
     C             3.32924             0.87786             5.86575
     C             3.67141             2.13148             6.46946
     C             4.96235             2.50453             6.07961
     C             5.52551             1.53784             4.93009
     C             3.07193            -0.27515             1.90799
     C             2.95841            -0.51061             3.31362
     C             4.22739            -0.56016             4.01509
     C             6.74341            -0.13288             3.09984
     C             5.54363             0.92677             2.47325
     C             0.39846             2.04122             4.08321
     C             1.08328             1.90290             5.36540
     C             2.00631             0.76211             5.32745
     C             1.87601             0.15859             3.95594
     C             0.88501             0.98543             3.20739
     C             1.95596             5.27466             6.14526
     C             3.04183             4.53944             6.76278
     C             2.69072             3.09076             6.80831
     C             1.34002             3.03024             6.23289
     C             0.92366             4.36614             5.87878
     C             5.94522             5.96214             5.25452
     C             6.33297             4.51844             5.46790
     C             5.40302             3.87207             6.31008
     C             4.38116             4.87728             6.59176
     C             4.65125             6.15044             5.91303
     C             4.99011             1.89213             3.51641
     C             5.25336            -0.61011             3.06920
     C             7.02298             1.48886             4.75463
     C             1.79159             4.13794             3.96017
     C             2.91299             3.52443             3.59866
     C             6.95612             5.12453             3.29577
     C             4.03696             2.86299             3.43885
     C             7.41660             7.56846             1.13144
     H             7.61557             8.59336             0.94820
     C             7.07053             4.07564             4.32949
     H             8.29762             4.69038             1.66629
     C             7.67981             2.76193             4.49099
     H             8.71024             2.59358             4.12933
     C             7.54400             0.31999             4.11217
     H             8.47994            -0.19117             4.23587
